HRID832163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

结构：COc1ccc(Cn2cc(-c3ccnc(NC(C)(C)C)c3)c(-c3cccc(N)c3)n2)cc1

HCID67184018

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cc(-c3ccnc(NC(C)(C)C)c3)c(-c3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)c3)n2)cc1

HCID67184785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9e510b083d94722b487830a73c19821
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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