HRID126594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID21075095

4-Chloro-6-(trifluoromethyl)quinazoline

C9H4ClF3N2

HCID178491949

未命名化合物

PRODUCTS

生成物

结构：COC1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)C(CNC(C)=O)C1

HCID178491950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a27034e7fafb4aeaa4ce0d7f620d0aa5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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