HRID1212642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25868

4-Aminobutanol

C4H11NO

HCID170254

2-Butanol, 4-amino-

C4H11NO

结构：CS(=O)(=O)c1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1

HCID67523920

未命名化合物

PRODUCTS

生成物

结构：CC(O)CCNc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1

HCID24997655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee9ef53464df428e877ebaef5e8d8b21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][c:21]([S:25]([CH3:26])(=[O:27])=[O:28])[n:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:6][cH:7]1.[NH2:33][CH2:34][CH2:35][CH:36]([CH3:37])[OH:38].[NH2:39][CH2:40][CH2:41][CH2:42][CH2:43][OH:44]>>[Cl:1][c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][c:21]([NH:33][CH2:34][CH2:35][CH:36]([CH3:37])[OH:38])[n:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:6][cH:7]1