HRID1131862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9588

Benzenesulfonyl chloride, 4-fluoro-

C6H4ClFO2S

HCID66924625

未命名化合物

HCID66924947

ethyl 1-[(4-fluorophenyl)sulfonyl]-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate

C20H15F4NO4S

PRODUCTS

产物

HCID86620740

1-[(4-Fluorophenyl)sulfonyl]-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde

C18H11F4NO3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b0e8dabf013d4c4ea31397713bfb0668
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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