HRID1223132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID235511

5-Amino-2-methylbenzenesulfonamide

C7H10N2O2S

结构：CN(c1ccc2c(c1)nc(N(C(=O)OC(C)(C)C)c1ccccc1)n2C)c1ccnc(Cl)n1

HCID59674137

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(N(C(=O)OC(C)(C)C)c3ccccc3)n4C)n2)cc1S(N)(=O)=O

HCID10312491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aad4817f7154cbba521bebf837a1778
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

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