HRID1209244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(N)ccc3[nH]2)CC1

HCID15392056

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)N(C)C)ccc3[nH]2)CC1

HCID15392058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dd1faf59e2f4961bf3c611ce4492687
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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