HRID203934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8658

2-Methoxybenzaldehyde

C8H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

HCID22328963

Methyl 7-bromo-2,3-dihydro-1H-1-benzazepine-4-carboxylate

C12H12BrNO2

PRODUCTS

生成物

结构：COC(=O)C1=Cc2cc(Br)ccc2N(Cc2ccccc2OC)CC1

HCID22329284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9974bbfe7333496f9bb22e9fdd2864a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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