查数据/反应详情

HRID148094

反应详情

EQUATION

反应方程式

HRID 148094 的结构方程式

REACTANTS

反应物

2

结构：COc1ccc(F)cc1C(C)(C)CC(O)(C=O)C(F)(F)F

未命名化合物

结构：Nc1cccc2[nH]c(=O)ccc12

5-Aminoquinolin-2(1H)-one

C9H8N2O

PRODUCTS

生成物

1

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2[nH]c(=O)ccc12)C(F)(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a0d23ba1c7c48e28ba4cf515e71c334
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][c:27](=[O:33])[nH:28][c:29]2[cH:30][cH:31][cH:32]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:22][c:23]2[c:24]3[cH:25][cH:26][c:27](=[O:33])[nH:28][c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1

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