HRID1211564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5126

2-Amino-1-propanol

C3H9NO

HCID350287

2-aminopropanamide

C3H8N2O

结构：Cc1ccc(C(=O)NC(C)CO)cc1-n1cnc(OCc2ccc(F)cc2F)c(Br)c1=O

HCID21088998

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NC(C)C(N)=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Br)c1=O

HCID21089025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9036f29f98a49ffa9bdf78b78061a7e
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

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