HRID1143034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COc1ccnc(CSc2nc3c(C)c(OC(F)F)c(C)cc3[nH]2)c1C

HCID20189543

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(CS(=O)c2nc3c(C)c(OC(F)F)c(C)cc3[nH]2)c1C

HCID20189572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcaa51b41ad04032b7e9abd8da3f361c
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

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