HRID1215690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID21097526

N-[4-(Aminomethyl)-2-fluorophenyl]methanesulfonamide

C8H11FN2O2S

结构：CC(C)(C)c1cc(C(F)(F)F)c(C=CC(=O)O)cn1

HCID68784901

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(F)(F)F)c(C=CC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cn1

HCID68782151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e686c62fcabe4ecea878823934682475
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:16]([CH3:17])([CH3:18])([CH3:19])[c:20]1[cH:21][c:22]([C:31]([F:32])([F:33])[F:34])[c:23]([CH:26]=[CH:27][C:28](=[O:29])[OH:30])[cH:24][n:25]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[ClH:1].[F:2][c:3]1[cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9][c:10]1[NH:11][S:12](=[O:13])(=[O:14])[CH3:15]>>[F:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][C:28]([CH:27]=[CH:26][c:23]2[c:22]([C:31]([F:32])([F:33])[F:34])[cH:21][c:20]([C:16]([CH3:17])([CH3:18])[CH3:19])[n:25][cH:24]2)=[O:29])[cH:8][cH:9][c:10]1[NH:11][S:12](=[O:13])(=[O:14])[CH3:15]