HRID204125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID946

Nitrite ion

NO2-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9964

4-(Trifluoromethyl)aniline

C7H6F3N

HCID23978

Copper

HCID166653

Hydride

H-

HCID178418361

未命名化合物

结构：COc1ccc(-c2nc(S)[nH]c2-c2ccc(OC)cc2)cc1

HCID178489021

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(Sc3ccc(C(F)(F)F)cc3)[nH]c2-c2ccc(OC)cc2)cc1

HCID12832305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c6b993336264a7e92420f12e9f0eee1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([SH:22])[nH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:7][cH:8]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[ClH:42].[Cu:48].[F:27][C:28]([c:29]1[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]1)([F:36])[F:37].[H-:23].[H:25][H:26].[N:38]([O-:39])=[O:40].[Na+:24].[Na+:41]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[nH:10][c:11]([S:22][c:32]3[cH:31][cH:30][c:29]([C:28]([F:27])([F:36])[F:37])[cH:35][cH:34]3)[n:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:7][cH:8]1