HRID307140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2800935

2,4-Dichloro-N-methylaniline

C7H7Cl2N

HCID66868572

未命名化合物

PRODUCTS

产物

HCID57900493

9-bromo-N-(2,4-dichlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

C20H14BrCl2NO2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-05e57ae7026942398de2dbe536506d5a
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:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)-[c:7]1[s:8][c:9]([C:15](=[O:16])[OH:17])[cH:10][c:11]1[CH2:12][CH2:13][O:14]2.[C:25](=[O:26])([O-:27])[OH:28].[CH3:48][C:49]#[N:50].[Cl:19][C:20]([C:21]([Cl:22])=[O:23])=[O:24].[Cl:30][c:31]1[c:32]([NH:33][CH3:34])[cH:35][cH:36][c:37]([Cl:39])[cH:38]1.[Cl:40][CH2:41][Cl:42].[Na+:29].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:51]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)-[c:7]1[s:8][c:9]([C:15](=[O:17])[N:33]([c:32]3[c:31]([Cl:30])[cH:38][c:37]([Cl:39])[cH:36][cH:35]3)[CH3:34])[cH:10][c:11]1[CH2:12][CH2:13][O:14]2