HRID147888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID85570

Tosylate

C7H7O3S-

结构：Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1

HCID2734212

未命名化合物

PRODUCTS

生成物

HCID85570

Tosylate

C7H7O3S-

HCID2734212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-719b42eb4bc943e0adf5e51b3b5a7f1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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