HRID101979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID19354

Methyl vinyl sulfone

C3H6O2S

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1

HCID59001784

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)CCN1CC(c2cc(F)ccc2F)=CC1c1ccccc1

HCID178504884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5acc5392c502476d8d2deaa4091747b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:43][CH2:44][OH:45].[CH:37](=[CH2:38])[S:39](=[O:40])(=[O:41])[CH3:42].[Cl:27][CH2:28][Cl:29].[F:1][c:2]1[c:3]([C:9]2=[CH:10][CH:11]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[N:12]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH:30][C:31]([C:32]([F:33])([F:34])[F:35])=[O:36]>>[F:1][c:2]1[c:3]([C:9]2=[CH:10][CH:11]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[N:12]([CH2:14][CH2:37][S:39](=[O:40])(=[O:41])[CH3:42])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1