HRID316022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID67468012

未命名化合物

HCID67468678

未命名化合物

PRODUCTS

生成物

结构：COc1nc(CO)cc(C)c1CNC(=O)c1cc(Br)cc2c1c(C)cn2C(C)C

HCID67466106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe5db515711545d192a3133acf13e284
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:14][c:15]1[cH:16][c:17]([C:28](=[O:29])[OH:30])[c:18]2[c:19]([CH3:27])[cH:20][n:21]([CH:24]([CH3:25])[CH3:26])[c:22]2[cH:23]1.[CH2:41]([Cl:42])[CH2:43][Cl:44].[Cl:45][CH2:46][Cl:47].[NH2:1][CH2:2][c:3]1[c:4]([CH3:13])[cH:5][c:6]([CH2:11][OH:12])[n:7][c:8]1[O:9][CH3:10].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH:31][n:32]1[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[NH:1]([CH2:2][c:3]1[c:4]([CH3:13])[cH:5][c:6]([CH2:11][OH:12])[n:7][c:8]1[O:9][CH3:10])[C:28]([c:17]1[cH:16][c:15]([Br:14])[cH:23][c:22]2[c:18]1[c:19]([CH3:27])[cH:20][n:21]2[CH:24]([CH3:25])[CH3:26])=[O:29]