HRID313425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID155924

4,5,6,7-Tetrahydro-1H-benzimidazol-6-amine

C7H11N3

结构：O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl

HCID58394774

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCc2nc[nH]c2C1

HCID67345609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22c8a34b90f842e1afe48975bacfc38a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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