HRID2123890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID31260

Isopentyl alcohol

C5H12O

HCID2778131

4-Amino-N-methylbenzenemethanesulfonamide

C8H12N2O2S

HCID22639811

未命名化合物

HCID22639817

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3cc(OC)ccc3n2)cc1

HCID22639807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-052b35265ffe4554a690e054450249c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:54]([OH:55])[CH2:56][CH:57]([CH3:58])[CH3:59].[CH3:21][NH:22][S:23](=[O:24])(=[O:25])[CH2:26][c:27]1[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]1.[CH3:60][OH:61].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([O:19][CH3:20])[cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1.[Cl:34][c:35]1[n:36][c:37]([NH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[c:46]([c:47]([O:48][CH3:49])[cH:50][cH:51][cH:52]2)[n:53]1>>[c:2]1([NH:33][c:30]2[cH:29][cH:28][c:27]([CH2:26][S:23]([NH:22][CH3:21])(=[O:24])=[O:25])[cH:32][cH:31]2)[n:3][c:4]2[cH:5][cH:6][c:7]([O:19][CH3:20])[cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1