Substrate
/
Generation 1
/
Generation 2
XenoSite
Amrinone
Nc1cc(-c2ccncc2)c[nH]c1=O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
O=c1[nH]cc(-c2ccncc2)cc1O
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
stable oxygenation
unstable oxygenation
dehydrogenation
reduction
hydrolysis
Generation 2
Show metabolites
Molecule must have at least 2 atoms: O
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![O=c1[nH]cc(-c2ccncc2)cc1O stable oxygenation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22207.9%22%20height%3D%22123.0%22%20viewBox%3D%2225.8%20-2.9%20207.9%20123.0%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_d5fb773763%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22175.7%22%20cy%3D%2237.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22203.7%22%20cy%3D%2272.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22171.9%22%20cy%3D%2280.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22179.0%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22117.4%22%20cy%3D%2264.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22168.6%22%20cy%3D%2247.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22182.8%22%20cy%3D%2227.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22191.3%22%20cy%3D%2270.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22173.8%22%20cy%3D%2258.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22129.7%22%20cy%3D%2265.5%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22105.1%22%20cy%3D%2263.3%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22156.3%22%20cy%3D%2246.3%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22152.5%22%20cy%3D%2289.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22136.8%22%20cy%3D%2255.3%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22164.8%22%20cy%3D%2290.1%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2299.9%22%20cy%3D%2252.1%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2298.0%22%20cy%3D%2273.4%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22134.9%22%20cy%3D%2276.7%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2282.3%22%20cy%3D%2239.7%22%20style%3D%22fill%3Argb(242%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2278.5%22%20cy%3D%2282.4%22%20style%3D%22fill%3Argb(242%2C247%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22140.2%22%20cy%3D%2287.9%22%20style%3D%22fill%3Argb(235%2C243%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22143.9%22%20cy%3D%2245.2%22%20style%3D%22fill%3Argb(232%2C240%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2294.6%22%20cy%3D%2240.8%22%20style%3D%22fill%3Argb(184%2C210%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2290.9%22%20cy%3D%2283.5%22%20style%3D%22fill%3Argb(184%2C210%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2270.0%22%20cy%3D%2238.7%22%20style%3D%22fill%3Argb(160%2C194%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2266.2%22%20cy%3D%2281.4%22%20style%3D%22fill%3Argb(160%2C194%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2262.9%22%20cy%3D%2248.8%22%20style%3D%22fill%3Argb(160%2C194%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2261.0%22%20cy%3D%2270.1%22%20style%3D%22fill%3Argb(160%2C194%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2255.8%22%20cy%3D%2258.9%22%20style%3D%22fill%3Argb(98%2C151%2C255)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_d5fb773763%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_d5fb773763%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_d5fb773763%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23D55E00%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_d5fb773763%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m199.5%2073.5l-21.7%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m199.8%2069.8l-21.7%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m179%2069.8l-11.2%2016%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m161.3%2089.8l-21.1%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m140.2%2087.9l-10.5%20-22.4%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m142.6%2084.4l-8.6%20-18.6%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m129.7%2065.5l-24.6%20-2.2%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m105.1%2063.3l-10.5%20-22.5%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m100.8%2062.9l-8.6%20-18.6%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m94.6%2040.8l-24.6%20-2.1%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m70%2038.7l-11.2%2015.9%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m71.8%2042.5l-10%2014.2%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m57.8%2063.2l8.4%2018.2%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m66.2%2081.4l24.7%202.1%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m68.7%2077.8l20.3%201.9%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-4%20atom-11%22%20d%3D%22m129.7%2065.5l14.2%20-20.3%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m143.9%2045.2l24.7%202.2%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m145.7%2049.1l20.4%201.8%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m168.6%2047.4l11.1%20-15.8%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-12%20atom-1%22%20d%3D%22m168.6%2047.4l10.4%2022.4%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-10%20atom-5%22%20d%3D%22m90.9%2083.5l14.2%20-20.2%22%2F%3E%3Cpath%20d%3D%22m178.5%2070.6l0.5%20-0.8%20l-0.5%20-1.1%22%2F%3E%3Cpath%20d%3D%22m141.2%2088l-1%20-0.1%20l-0.6%20-1.1%22%2F%3E%3Cpath%20d%3D%22m95.2%2042l-0.6%20-1.2%20l-1.2%20-0.1%22%2F%3E%3Cpath%20d%3D%22m71.2%2038.8l-1.2%20-0.1%20l-0.6%200.8%22%2F%3E%3Cpath%20d%3D%22m65.8%2080.4l0.4%201%20l1.2%200.1%22%2F%3E%3Cpath%20d%3D%22m89.6%2083.4l1.3%200.1%20l0.7%20-1%22%2F%3E%3Cpath%20d%3D%22m143.2%2046.2l0.7%20-1%20l1.3%200.1%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%20style%3D%22fill%3A%23D55E00%3Bstroke%3Anone%22%3E%3Cg%20id%3D%22text_xeno_d5fb773763%22%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%20200.5%2072.0%20Q%20200.5%2070.4%2C%20201.3%2069.4%20Q%20202.1%2068.5%2C%20203.7%2068.5%20Q%20205.2%2068.5%2C%20206.1%2069.4%20Q%20206.9%2070.4%2C%20206.9%2072.0%20Q%20206.9%2073.7%2C%20206.0%2074.7%20Q%20205.2%2075.7%2C%20203.7%2075.7%20Q%20202.1%2075.7%2C%20201.3%2074.7%20Q%20200.5%2073.8%2C%20200.5%2072.0%20M%20203.7%2074.9%20Q%20204.7%2074.9%2C%20205.3%2074.2%20Q%20205.9%2073.5%2C%20205.9%2072.0%20Q%20205.9%2070.7%2C%20205.3%2070.0%20Q%20204.7%2069.3%2C%20203.7%2069.3%20Q%20202.6%2069.3%2C%20202.0%2070.0%20Q%20201.4%2070.7%2C%20201.4%2072.0%20Q%20201.4%2073.5%2C%20202.0%2074.2%20Q%20202.6%2074.9%2C%20203.7%2074.9%20%22%2F%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%20163.3%2086.6%20L%20165.6%2090.3%20Q%20165.8%2090.7%2C%20166.1%2091.3%20Q%20166.5%2092.0%2C%20166.5%2092.0%20L%20166.5%2086.6%20L%20167.5%2086.6%20L%20167.5%2093.6%20L%20166.5%2093.6%20L%20164.0%2089.5%20Q%20163.7%2089.1%2C%20163.4%2088.5%20Q%20163.1%2088.0%2C%20163.1%2087.8%20L%20163.1%2093.6%20L%20162.1%2093.6%20L%20162.1%2086.6%20L%20163.3%2086.6%20%22%2F%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%20168.8%2086.6%20L%20169.8%2086.6%20L%20169.8%2089.6%20L%20173.4%2089.6%20L%20173.4%2086.6%20L%20174.3%2086.6%20L%20174.3%2093.6%20L%20173.4%2093.6%20L%20173.4%2090.4%20L%20169.8%2090.4%20L%20169.8%2093.6%20L%20168.8%2093.6%20L%20168.8%2086.6%20%22%2F%3E%3Cpath%20class%3D%22atom-8%22%20d%3D%22M%2054.2%2055.4%20L%2056.5%2059.1%20Q%2056.7%2059.5%2C%2057.1%2060.1%20Q%2057.5%2060.8%2C%2057.5%2060.9%20L%2057.5%2055.4%20L%2058.4%2055.4%20L%2058.4%2062.4%20L%2057.5%2062.4%20L%2055.0%2058.4%20Q%2054.7%2057.9%2C%2054.4%2057.3%20Q%2054.1%2056.8%2C%2054.0%2056.6%20L%2054.0%2062.4%20L%2053.1%2062.4%20L%2053.1%2055.4%20L%2054.2%2055.4%20%22%2F%3E%3Cpath%20class%3D%22atom-13%22%20d%3D%22M%20179.6%2027.2%20Q%20179.6%2025.5%2C%20180.4%2024.5%20Q%20181.3%2023.6%2C%20182.8%2023.6%20Q%20184.4%2023.6%2C%20185.2%2024.5%20Q%20186.0%2025.5%2C%20186.0%2027.2%20Q%20186.0%2028.9%2C%20185.2%2029.8%20Q%20184.3%2030.8%2C%20182.8%2030.8%20Q%20181.3%2030.8%2C%20180.4%2029.8%20Q%20179.6%2028.9%2C%20179.6%2027.2%20M%20182.8%2030.0%20Q%20183.9%2030.0%2C%20184.5%2029.3%20Q%20185.0%2028.6%2C%20185.0%2027.2%20Q%20185.0%2025.8%2C%20184.5%2025.1%20Q%20183.9%2024.4%2C%20182.8%2024.4%20Q%20181.7%2024.4%2C%20181.2%2025.1%20Q%20180.6%2025.8%2C%20180.6%2027.2%20Q%20180.6%2028.6%2C%20181.2%2029.3%20Q%20181.7%2030.0%2C%20182.8%2030.0%20%22%2F%3E%3Cpath%20class%3D%22atom-13%22%20d%3D%22M%20187.1%2023.7%20L%20188.1%2023.7%20L%20188.1%2026.7%20L%20191.6%2026.7%20L%20191.6%2023.7%20L%20192.6%2023.7%20L%20192.6%2030.7%20L%20191.6%2030.7%20L%20191.6%2027.5%20L%20188.1%2027.5%20L%20188.1%2030.7%20L%20187.1%2030.7%20L%20187.1%2023.7%20%22%2F%3E%3C%2Fg%3E%3C!--%20END%20OF%20HEADER%20--%3E%3C%2Fg%3E%3Cg%20class%3D%22overlay%22%3E%3Cg%20id%3D%22overlay_xeno_d5fb773763%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B203.7%2C%2072.0%5D%2C%20%5B179.0%2C%2069.8%5D%2C%20%5B164.8%2C%2090.1%5D%2C%20%5B140.2%2C%2087.9%5D%2C%20%5B129.7%2C%2065.5%5D%2C%20%5B105.1%2C%2063.3%5D%2C%20%5B94.6%2C%2040.8%5D%2C%20%5B70.0%2C%2038.7%5D%2C%20%5B55.8%2C%2058.9%5D%2C%20%5B66.2%2C%2081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![O=c1[nH]cc(-c2ccncc2)cc1O unstable oxygenation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22207.9%22%20height%3D%22123.0%22%20viewBox%3D%2225.8%20-2.9%20207.9%20123.0%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_9653d364f3%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22179.0%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22129.7%22%20cy%3D%2265.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22168.6%22%20cy%3D%2247.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22105.1%22%20cy%3D%2263.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22203.7%22%20cy%3D%2272.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2255.8%22%20cy%3D%2258.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22140.2%22%20cy%3D%2287.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2270.0%22%20cy%3D%2238.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2266.2%22%20cy%3D%2281.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22143.9%22%20cy%3D%2245.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2294.6%22%20cy%3D%2240.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2290.9%22%20cy%3D%2283.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22173.8%22%20cy%3D%2258.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22164.8%22%20cy%3D%2290.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22156.3%22%20cy%3D%2246.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22182.8%22%20cy%3D%2227.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2299.9%22%20cy%3D%2252.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2298.0%22%20cy%3D%2273.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22136.8%22%20cy%3D%2255.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2282.3%22%20cy%3D%2239.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2278.5%22%20cy%3D%2282.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22134.9%22%20cy%3D%2276.7%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22117.4%22%20cy%3D%2264.4%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22171.9%22%20cy%3D%2280.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22152.5%22%20cy%3D%2289.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22175.7%22%20cy%3D%2237.3%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22191.3%22%20cy%3D%2270.9%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2262.9%22%20cy%3D%2248.8%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2261.0%22%20cy%3D%2270.1%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_9653d364f3%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_9653d364f3%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_9653d364f3%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23E69F00%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_9653d364f3%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m199.5%2073.5l-21.7%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m199.8%2069.8l-21.7%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m179%2069.8l-11.2%2016%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m161.3%2089.8l-21.1%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m140.2%2087.9l-10.5%20-22.4%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m142.6%2084.4l-8.6%20-18.6%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m129.7%2065.5l-24.6%20-2.2%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m105.1%2063.3l-10.5%20-22.5%22%2F%3E%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![O=c1[nH]cc(-c2ccncc2)cc1O dehydrogenation 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![O=c1[nH]cc(-c2ccncc2)cc1O hydrolysis prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22207.9%22%20height%3D%22123.0%22%20viewBox%3D%2225.8%20-2.9%20207.9%20123.0%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_5411acd21d%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22179.0%22%20cy%3D%2269.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22168.6%22%20cy%3D%2247.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22129.7%22%20cy%3D%2265.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22105.1%22%20cy%3D%2263.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2270.0%22%20cy%3D%2238.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2266.2%22%20cy%3D%2281.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2255.8%22%20cy%3D%2258.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2294.6%22%20cy%3D%2240.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2290.9%22%20cy%3D%2283.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22140.2%22%20cy%3D%2287.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22143.9%22%20cy%3D%2245.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2282.3%22%20cy%3D%2239.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2278.5%22%20cy%3D%2282.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22173.8%22%20cy%3D%2258.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22156.3%22%20cy%3D%2246.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2299.9%22%20cy%3D%2252.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2298.0%22%20cy%3D%2273.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22182.8%22%20cy%3D%2227.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2262.9%22%20cy%3D%2248.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%2261.0%22%20cy%3D%2270.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22134.9%22%20cy%3D%2276.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22136.8%22%20cy%3D%2255.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22164.8%22%20cy%3D%2290.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22203.7%22%20cy%3D%2272.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22117.4%22%20cy%3D%2264.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22152.5%22%20cy%3D%2289.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22175.7%22%20cy%3D%2237.3%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22191.3%22%20cy%3D%2270.9%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%228.0%22%20cx%3D%22171.9%22%20cy%3D%2280.0%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_5411acd21d%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_5411acd21d%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_5411acd21d%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%2356B4E9%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_5411acd21d%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m199.5%2073.5l-21.7%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m199.8%2069.8l-21.7%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m179%2069.8l-11.2%2016%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m161.3%2089.8l-21.1%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m140.2%2087.9l-10.5%20-22.4%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m142.6%2084.4l-8.6%20-18.6%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m129.7%2065.5l-24.6%20-2.2%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m105.1%2063.3l-10.5%20-22.5%22%2F%3E%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