HRID189694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10928

Ethyl chloroformate

C3H5ClO2

结构：COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CN)cc1

HCID19689859

4-aminomethyl-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(2-methoxyphenyl)benzamide

C29H32FN3O3

PRODUCTS

生成物

结构：CCOC(=O)NCc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2OC)cc1

HCID19689988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0030eda3fc1343218d9982f5327d3651
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

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