HRID1125681

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

结构：CCC(O)C1CC(N(C)C(C)C)CCC1N1CCC(N)C1=O

HCID178458683

未命名化合物

PRODUCTS

生成物

结构：CCC(O)C1CC(N(C)C(C)C)CCC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O

HCID21074812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae11681dbfb74990a73ac8a888a038e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][CH2:46][OH:47].[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]([CH:18]([CH2:19][CH3:20])[OH:21])[CH2:9][CH:10]([N:13]([CH3:14])[CH: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]([CH:18]([CH2:19][CH3:20])[OH:21])[CH2:9][CH:10]([N:13]([CH3:14])[CH: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