HRID144596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID123057

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

C8H6BrF3

HCID68765328

未命名化合物

HCID68768518

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-n2cnc3cnc(OC)cc32)cc1OCc1ccccc1C(F)(F)F

HCID68766502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2643fca67dfc426aafe7fe386903d6fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:49][CH2:50][c:51]1[c:52]([C:57]([F:58])([F:59])[F:60])[cH:53][cH:54][cH:55][cH:56]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[OH2:66].[OH:1][c:2]1[cH:3][c:4](-[n:5]2[c:6]3[cH:7][n:8][c:9]([O:10][CH3:11])[cH:12][c:13]3[n:14][cH:15]2)[s:16][c:17]1[C:18]([O:19][CH3:20])=[O:21].[OH:22][c:23]1[c:24]([C:39](=[O:40])[O:41][CH3:42])[s:25][c:26](-[n:28]2[cH:29][n:30][c:31]3[cH:32][n:33][c:34]([O:37][CH3:38])[cH:35][c:36]23)[cH:27]1>>[O:22]([c:23]1[c:24]([C:39](=[O:40])[O:41][CH3:42])[s:25][c:26](-[n:28]2[cH:29][n:30][c:31]3[cH:32][n:33][c:34]([O:37][CH3:38])[cH:35][c:36]23)[cH:27]1)[CH2:50][c:51]1[c:52]([C:57]([F:58])([F:59])[F:60])[cH:53][cH:54][cH:55][cH:56]1