HRID2336230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22561746

4-(2,6-Difluoro-phenyl)-1,3-dihydro-indol-2-one

C14H9F2NO

反应SMILES：Cc1c(C=O)[nH]c2c1C(=O)N(CCN(C)C)CCC2

HCID59250073

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(C=C2C(=O)Nc3cccc(-c4c(F)cccc4F)c32)[nH]c2c1C(=O)N(CCN(C)C)CCC2

HCID68522801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-32312203953b4ed48a34f662499117b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[C:6](=[O:18])[c:7]2[c:8]([nH:12][c:13]([CH:16]=[O:17])[c:14]2[CH3:15])[CH2:9][CH2:10][CH2:11]1)[CH3:19].[F:20][c:21]1[c:22](-[c:28]2[c:29]3[c:33]([cH:34][cH:35][cH:36]2)[NH:32][C:31](=[O:37])[CH2:30]3)[c:23]([F:27])[cH:24][cH:25][cH:26]1>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[C:6](=[O:18])[c:7]2[c:8]([nH:12][c:13]([CH:16]=[C:30]3[c:29]4[c:28](-[c:22]5[c:21]([F:20])[cH:26][cH:25][cH:24][c:23]5[F:27])[cH:36][cH:35][cH:34][c:33]4[NH:32][C:31]3=[O:37])[c:14]2[CH3:15])[CH2:9][CH2:10][CH2:11]1)[CH3:19]