HRID316921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID74242

2,2,2-Trifluoroethanesulfonyl chloride

C2H2ClF3O2S

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1sc(-c2cccc(N)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID17759542

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2cccc(NS(=O)(=O)CC(F)(F)F)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID68833650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd4abcc0a0034f25b75d7b1e78a86077
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

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