HRID93445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1cc(N)ccc1-c1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

HCID178493126

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NS(C)(=O)=O)ccc1-c1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

HCID178493305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6950418f61e488fa16cd185394d77d1
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

[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH3:7][C:8]1([CH3:30])[C:9](=[O:29])[NH:10][c:11]2[cH:12][c:13]3[c:14]([n:15][c:16](-[c:18]4[c:19]([O:25][CH3:26])[cH:20][c:21]([NH2:24])[cH:22][cH:23]4)[nH:17]3)[cH:27][c:28]21.[ClH:6]>>[CH3:1][S:2](=[O:4])(=[O:5])[NH:24][c:21]1[cH:20][c:19]([O:25][CH3:26])[c:18](-[c:16]2[n:15][c:14]3[c:13]([cH:12][c:11]4[c:28]([cH:27]3)[C:8]([CH3:7])([CH3:30])[C:9](=[O:29])[NH:10]4)[nH:17]2)[cH:23][cH:22]1