HRID174586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID21075095

4-Chloro-6-(trifluoromethyl)quinazoline

C9H4ClF3N2

HCID77701444

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1CC(N(C)C(C)C)CCC1NC(=O)CNc1ncnc2ccc(C(F)(F)F)cc12

HCID77701725

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f34045fa8828447b8f74548d489e4b2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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