HRID2317690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID13364

Ethanamine, 2-chloro-N,N-diethyl-

C6H14ClN

HCID19001

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

C4H10O2S2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ncc(SC#N)s2)cc1

HCID73063196

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCSc1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)cc2)s1

HCID73017114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e17a193c4b9c4ee9a654f7a010e54803
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[O-:48].[CH3:53][OH:54].[CH:1]1([CH2:6][CH: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)[c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:37][CH2:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:55][CH2:56][Cl:57].[I-:52].[K+:49].[K+:50].[K+:51].[OH2:58].[SH:29][CH2:30][CH:31]([CH:32]([CH2:33][SH:34])[OH:35])[OH:36]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]([S:16][CH2:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[cH:14][n:15]2)[c:19]2[cH:20][cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH3:28])[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5]1