HRID1207612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID6422

未命名化合物

HCID13396

Benzonitrile, 4-amino-

C7H6N2

结构：Cc1cc(C)c(Nc2nc(F)nc3c2ccn3Cc2ccccc2)c(C)c1

HCID57693595

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc3c2ccn3Cc2ccccc2)c(C)c1

HCID57693556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d462dbfd5174bdabd22cb3c92b838a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([F:27])[n:15][c:16]2[NH:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24].[Cl:50][CH2:51][Cl:52].[NH2:28][c:29]1[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]1.[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43].[OH:44][CH2:45][C:46]([F:47])([F:48])[F:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:28][c:29]1[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]1)[n:15][c:16]2[NH:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24]