HRID99495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID2778321

3-Chloro-2-fluorobenzenesulfonyl chloride

C6H3Cl2FO2S

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CNC(=O)N3c3ccccc3)CC2)c1

HCID67142096

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4cccc(Cl)c4F)C(=O)N3c3ccccc3)CC2)c1

HCID25030242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c34bae7d20c4423b003024f6096de24
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

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