HRID1554383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID77178

2-Bromo-4-chlorobenzothiazole

C7H3BrClNS

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

HCID13616273

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(Nc2nc3c(Cl)cccc3s2)c(Cl)c1

HCID58778599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ea4f9253b6b472e8362759b4a6f1d16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[c:7]([Cl:11])[cH:8][cH:9][cH:10]2.[NH2:12][c:13]1[c:14]([Cl:24])[cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:17][cH:18]1.[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([O-:31])(=[O:32])=[O:33])[cH:34][cH:35]1.[c:42]1([CH3:43])[c:44]([CH3:45])[cH:46][cH:47][cH:48][cH:49]1.[nH+:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1([NH:12][c:13]2[c:14]([Cl:24])[cH:15][c:16]([CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:17][cH:18]2)[s:3][c:4]2[c:5]([n:6]1)[c:7]([Cl:11])[cH:8][cH:9][cH:10]2