HRID281347

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：CNc1cc(-c2cn(Cc3ccc(OC)cc3)nc2-c2cccc(N)c2)ccn1

HCID67186248

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(-c2cn(Cc3ccc(OC)cc3)nc2-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccn1

HCID67184323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7631dd4ac8e4bbb9d64c28a831bd143
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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