查数据/反应详情

HRID196237

反应详情

EQUATION

反应方程式

HRID 196237 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：CC(=O)Nc1ccc2c(N)cccc2n1

未命名化合物

PRODUCTS

生成物

1

结构：COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(NC(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-dc7ecf88b2bf4f718cb4bb2096ed4e3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:22]([CH3:23])(=[O:24])[NH:25][c:26]1[n:27][c:28]2[cH:29][cH:30][cH:31][c:32]([NH2:36])[c:33]2[cH:34][cH:35]1.[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>>[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:36][c:32]2[cH:31][cH:30][cH:29][c:28]3[n:27][c:26]([NH:25][C:22]([CH3:23])=[O:24])[cH:35][cH:34][c:33]32)([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1

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