HRID195704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6599

Dimethyldithiocarbamic acid

C3H7NS2

HCID5360545

Sodium

结构：COc1cc(CCl)nc(NC(=O)NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1

HCID13884816

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CSC(=S)N(C)C)nc(NC(=O)NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1

HCID20070845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd633510543a4734938321ec1ffe8f92
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

[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[c:7]([S:12](=[O:13])(=[O:14])[NH:15][C:16](=[O:17])[NH:18][c:19]2[n:20][c:21]([O:27][CH3:28])[cH:22][c:23]([CH2:25][Cl:26])[n:24]2)[cH:8][cH:9][cH:10][cH:11]1)[CH3:29].[CH3:31][N:32]([C:33]([SH:34])=[S:35])[CH3:36].[CH3:37][C:38]#[N:39].[Na:30].[OH2:40]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[c:7]([S:12](=[O:13])(=[O:14])[NH:15][C:16](=[O:17])[NH:18][c:19]2[n:20][c:21]([O:27][CH3:28])[cH:22][c:23]([CH2:25][S:35][C:33]([N:32]([CH3:31])[CH3:36])=[S:34])[n:24]2)[cH:8][cH:9][cH:10][cH:11]1)[CH3:29]