HRID1554694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

反应SMILES：CSCCCNC(=O)c1cc(C)c(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(F)cc2)cn1

HCID57736537

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C(=O)NCCCS(C)=O)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1

HCID57736525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6e43a68d4c2c480a98f2ac6dc5b3ef2e
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

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