HRID93956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID2734409

4-(Bromomethyl)benzenesulfonyl chloride

C7H6BrClO2S

HCID3826051

未命名化合物

HCID3865560

2-(4-Fluorophenyl)pyrrolidine

C10H12FN

结构：O=S(=O)(c1ccc(CCl)cc1)N1CCCC1c1ccc(F)cc1

HCID21706775

未命名化合物

PRODUCTS

生成物

结构：COCc1ccc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc1

HCID21706731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b707e3a1f1d547d1a13e064daa14e0bc
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

[Br:36][CH2:37][c:38]1[cH:39][cH:40][c:41]([S:42]([Cl:43])(=[O:44])=[O:45])[cH:46][cH:47]1.[CH3:48][O-:49].[CH3:51][OH:52].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]([S:13](=[O:14])(=[O:15])[c:16]3[cH:17][cH:18][c:19]([CH2:22][Cl:23])[cH:20][cH:21]3)[CH2:10][CH2:11][CH2:12]2)[cH:6][cH:7]1.[F:24][c:25]1[cH:26][cH:27][c:28]([CH:29]2[CH2:30][CH2:31][CH2:32][NH:33]2)[cH:34][cH:35]1.[Na+:50]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]([S:13](=[O:14])(=[O:15])[c:16]3[cH:17][cH:18][c:19]([CH2:22][O:49][CH3:48])[cH:20][cH:21]3)[CH2:10][CH2:11][CH2:12]2)[cH:6][cH:7]1