HRID1135857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

Dimethylformamide

C3H7NO

HCID181649

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

C5H4N4O

反应SMILES：Cc1cn(C(C)C)c2cc(Br)cc(C(=O)O)c12

HCID67468678

未命名化合物

反应SMILES：COc1nc(NC(=O)OC(C)(C)C)cc(C)c1CN

HCID71276137

未命名化合物

PRODUCTS

产物

反应SMILES：COc1nc(NC(=O)OC(C)(C)C)cc(C)c1CNC(=O)c1cc(Br)cc2c1c(C)cn2C(C)C

HCID71274276

tert-butyl (5-((6-bromo-1-isopropyl-3-methyl-1H-indole-4-carboxamido)methyl)-6-methoxy-4-methylpyridin-2-yl)carbamate

C26H33BrN4O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0201eb8cd8eb4121901cf8bc8d00b1be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:20][c:21]1[cH:22][c:23]([C:34](=[O:35])[OH:36])[c:24]2[c:25]([CH3:33])[cH:26][n:27]([CH:30]([CH3:31])[CH3:32])[c:28]2[cH:29]1.[CH2:47]([Cl:48])[CH2:49][Cl:50].[NH2:1][CH2:2][c:3]1[c:4]([CH3:19])[cH:5][c:6]([NH:11][C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[n:7][c:8]1[O:9][CH3:10].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:37][n:38]1[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[NH:1]([CH2:2][c:3]1[c:4]([CH3:19])[cH:5][c:6]([NH:11][C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[n:7][c:8]1[O:9][CH3:10])[C:34]([c:23]1[cH:22][c:21]([Br:20])[cH:29][c:28]2[c:24]1[c:25]([CH3:33])[cH:26][n:27]2[CH:30]([CH3:31])[CH3:32])=[O:35]