HRID1223400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID123057

1-(Bromomethyl)-2-(trifluoromethyl)benzene

C8H6BrF3

HCID68765327

未命名化合物

HCID68766294

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1ccccc1C(F)(F)F

HCID68766098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d815a0bc54c410cbed95faa92ed012e
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

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