HRID193516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID21075095

4-Chloro-6-(trifluoromethyl)quinazoline

C9H4ClF3N2

HCID178439379

未命名化合物

PRODUCTS

生成物

结构：CCCC1CC(N(C)C(C)C)CCC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O

HCID21075256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d261035ae0ce4a7192b7b4a6f3fab108
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:47](#[N:48])[CH3:49].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:44][CH2:45][OH:46].[Cl:29][c:30]1[n:31][cH:32][n:33][c:34]2[cH:35][cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][c:39]12.[NH2:1][CH:2]1[C:3](=[O:21])[N:4]([CH:7]2[CH:8]([CH2:18][CH2:19][CH3:20])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1.[OH2:50]>>[NH:1]([CH:2]1[C:3](=[O:21])[N:4]([CH:7]2[CH:8]([CH2:18][CH2:19][CH3:20])[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:30]1[n:31][cH:32][n:33][c:34]2[cH:35][cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][c:39]12