HRID312568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19001

2,3-Butanediol, 1,4-dimercapto-

C4H10O2S2

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

HCID86611220

未命名化合物

PRODUCTS

产物

HCID57883524

1-Cyclohexyl-1-(trans-4-methyl-cyclohexyl)-3-[5-(2-morpholin-4-yl-ethylsulfanyl)-thiazol-2-yl]-urea

C23H38N4O2S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0e5719604ac94250acffe2336be13075
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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