HRID1567746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID19660

Carbonate

CO3-2

HCID22455667

[(2-Bromoethyl)thio]cyclohexane

C8H15BrS

HCID178523048

未命名化合物

PRODUCTS

生成物

HCID25221628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e642aa346e7448fb731dd22b33313f1
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

[Br:23][CH2:24][CH2:25][S:26][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1.[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:56].[SH:7][c:8]1[c:9]([C:10](=[O:11])[NH:12][CH2:13][c:14]2[s:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][n:22]1>>[S:7]([c:8]1[c:9]([C:10](=[O:11])[NH:12][CH2:13][c:14]2[s:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][n:22]1)[CH2:24][CH2:25][S:26][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1