HRID1124633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID31260

Isopentyl alcohol

C5H12O

HCID317908

未命名化合物

HCID2778131

4-Amino-N-methylbenzenemethanesulfonamide

C8H12N2O2S

HCID22639817

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CNS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1

HCID9825279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55882863e3bc45de82a0887726cae9e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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