HRID134784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID14289

Isothiocyanocyclohexane

C7H11NS

HCID59714960

未命名化合物

PRODUCTS

产物

HCID59715053

N-[1-[3-[2-(3-Cyclohexylthioureido)phenyl]propyl]piperidin-4-yl]-N-(p-tolyl)-2-furancarboxamide

C33H42N4O2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8ea59b4309ae4468890bd70893a57b7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH:32]1([N:38]=[C:39]=[S:40])[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[Cl:41][CH2:42][CH2:43][Cl:44].[NH2:1][c:2]1[c:3]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([N:17]([C:18](=[O:19])[c:20]3[o:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[CH2:15][CH2:16]2)[cH:4][cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[c:3]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([N:17]([C:18](=[O:19])[c:20]3[o:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[CH2:15][CH2:16]2)[cH:4][cH:5][cH:6][cH:7]1)[C:39]([NH:38][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1)=[S:40]