HRID1555182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID16753943

1-[4-Fluoro-2-(methylsulfanyl)phenyl]methanamine

C8H10FNS

结构：COC(=O)c1nc(N(C)S(=O)(=O)c2cn(C)cn2)c2cccnc2c1O

HCID68898245

未命名化合物

PRODUCTS

生成物

结构：CSc1cc(F)ccc1CNC(=O)c1nc(N(C)S(=O)(=O)c2cn(C)cn2)c2cccnc2c1O

HCID22346460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07d05a6cb8a54877898bfd683295d301
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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