HRID297926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7672

Phenyl isocyanate

C7H5NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID10406441

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccc1)Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID10390552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de0ab875b24a4d619783f76007d57d3c
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

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