HRID97603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(Cc1sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2c1CN)CC(O)c1ccccn1

HCID178483129

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2c1CNS(C)(=O)=O)CC(O)c1ccccn1

HCID178483131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-150ce3ccb9c946c1b82386cfa9ce4eef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:46][S:47]([Cl:48])(=[O:49])=[O:50].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:51][CH2:52][Cl:53].[NH2:1][CH2:2][c:3]1[c:4]([CH2:25][N:26]([CH3:27])[CH2:28][CH:29]([c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)[OH:36])[s:5][c:6]2[c:7]1[n:8]([CH3:24])[cH:9][c:10]([C:13](=[O:14])[NH:15][CH2:16][c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)[c:11]2=[O:12]>>[NH:1]([CH2:2][c:3]1[c:4]([CH2:25][N:26]([CH3:27])[CH2:28][CH:29]([c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)[OH:36])[s:5][c:6]2[c:7]1[n:8]([CH3:24])[cH:9][c:10]([C:13](=[O:14])[NH:15][CH2:16][c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)[c:11]2=[O:12])[S:47]([CH3:46])(=[O:49])=[O:50]