HRID2317939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID571846

4-(Trifluoromethoxy)benzylamine

C8H8F3NO

HCID2737567

3-Fluoro-4-(trifluoromethyl)benzylamine

C8H7F4N

HCID22337647

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(CC(=O)NCc3ccc(C(F)(F)F)c(F)c3)cccc2cn1

HCID22032651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29bd9164af7e41efa9e30084f2c25593
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[OH:15])[c:10]2[cH:11]1.[CH3:42][S:43]([CH3:44])=[O:45].[F:16][c:17]1[cH:18][c:19]([CH2:20][NH2:21])[cH:22][cH:23][c:24]1[C:25]([F:26])([F:27])[F:28].[F:29][C:30]([F:31])([F:32])[O:33][c:34]1[cH:35][cH:36][c:37]([CH2:38][NH2:39])[cH:40][cH:41]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:1][c:2]1[n:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH2:12][C:13](=[O:15])[NH:21][CH2:20][c:19]3[cH:18][c:17]([F:16])[c:24]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:22]3)[c:10]2[cH:11]1