HRID191195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734258

3-Fluorobenzenesulfonyl chloride

C6H4ClFO2S

HCID67316109

未命名化合物

结构：CC(C)CCNC(=O)c1ccccc1-c1ccccc1C(N)S(=O)(=O)c1cccc(F)c1

HCID86589514

未命名化合物

PRODUCTS

生成物

HCID9846776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecd7f5635383461f9c8a56bd43f30009
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][CH:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[c:15]([CH2:20][NH2:21])[cH:16][cH:17][cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1)[CH3:22].[CH3:34][CH:35]([CH3:36])[CH2:37][CH2:38][NH:39][C:40]([c:41]1[c:42](-[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[CH:49]([S:50]([c:51]2[cH:52][cH:53][cH:54][c:55]([F:56])[cH:57]2)(=[O:58])=[O:59])[NH2:60])[cH:61][cH:62][cH:63][cH:64]1)=[O:65].[F:23][c:24]1[cH:25][c:26]([S:30](=[O:31])(=[O:32])[Cl:33])[cH:27][cH:28][cH:29]1>>[CH3:1][CH:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[c:15]([CH2:20][NH:21][S:30]([c:26]3[cH:25][c:24]([F:23])[cH:29][cH:28][cH:27]3)(=[O:31])=[O:32])[cH:16][cH:17][cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1)[CH3:22]