HRID170320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID602

DL-Alanine

C3H7NO2

HCID5126

2-Amino-1-propanol

C3H9NO

HCID2826723

azanide

H2N-

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-680294ef95b44f58ba8f38bd346b1565
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

[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-:39].[NH2:33][CH:34]([C:35]([OH:36])=[O:37])[CH3:38].[NH2:40][CH:41]([CH3:42])[CH2:43][OH:44]>>[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]