HRID805792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID21075095

4-Chloro-6-(trifluoromethyl)quinazoline

C9H4ClF3N2

结构：CC(=O)NC1CC(NC(C)(C)C)CCC1N1CCC(N)C1=O

HCID67073895

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CC(NC(C)(C)C)CCC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O

HCID74109150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-098786c185514d328b6baa7bfe7a4d96
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

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