HRID106671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID37732

Ethylamine, N-methyl-2-phenoxy-

C9H13NO

HCID13092510

3-(3-Chloropropyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one

C15H20ClNO3

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCOc1ccccc1)CC2

HCID13579667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f89b739071941e29b5ff6497a5ec854
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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