HRID688832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID2777875

4-(Trifluoromethylthio)benzylamine

C8H8F3NS

HCID12018708

未命名化合物

HCID22337682

α-Ethyl-5-isoquinolineacetic acid

C13H13NO2

PRODUCTS

生成物

结构：CCC(C(=O)NCc1ccc(SC(F)(F)F)cc1)c1cccc2cnccc12

HCID11165604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cb6cf30304349c29b4a55269509df8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:44][S:45]([CH3:46])=[O:47].[F:1][C:2]([S:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH2:9])[cH:10][cH:11]1)([F:12])[F:13].[cH:14]1[n:15][cH:16][cH:17][c:18]2[c:19]([CH:24]([C:25](=[O:26])[OH:27])[CH2:28][CH3:29])[cH:20][cH:21][cH:22][c:23]12.[cH:30]1[c:31]2[c:32]([c:33]([CH2:34][C:35]([OH:36])=[O:37])[cH:38][cH:39][cH:40]2)[cH:41][cH:42][n:43]1>>[F:1][C:2]([S:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:25]([CH:24]([c:19]2[c:18]3[cH:17][cH:16][n:15][cH:14][c:23]3[cH:22][cH:21][cH:20]2)[CH2:28][CH3:29])=[O:26])[cH:10][cH:11]1)([F:12])[F:13]