HRID1562363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9808

2-Fluorobenzoyl chloride

C7H4ClFO

结构：NCCOc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

HCID57655967

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCOc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2)c1ccccc1F

HCID86629596

7-chloro-6-[2-(2-fluorobenzoylamino)-ethoxy]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

C21H19ClF4N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-161435080c164fc4b392bda3a5568dce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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