HRID805304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2775298

4-Methoxy-3-(trifluoromethyl)benzoyl chloride

C9H6ClF3O2

HCID69043120

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2ccc(C)c(-c3ccc4[nH]c5ncncc5c4c3)c2)cc1C(F)(F)F

HCID59774726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42f69534d11d4f058c8b81724c62469c
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

[CH3:16][c:17]1[c:18](-[c:24]2[cH:25][c:26]3[c:27]4[c:28]([nH:29][c:30]3[cH:31][cH:32]2)[n:33][cH:34][n:35][cH:36]4)[cH:19][c:20]([NH2:21])[cH:22][cH:23]1.[CH3:1][O:2][c:3]1[c:4]([C:12]([F:13])([F:14])[F:15])[cH:5][c:6]([C:7](=[O:8])[Cl:9])[cH:10][cH:11]1.[CH3:51][OH:52].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[CH3:1][O:2][c:3]1[c:4]([C:12]([F:13])([F:14])[F:15])[cH:5][c:6]([C:7](=[O:8])[NH:21][c:20]2[cH:19][c:18](-[c:24]3[cH:25][c:26]4[c:27]5[c:28]([nH:29][c:30]4[cH:31][cH:32]3)[n:33][cH:34][n:35][cH:36]5)[c:17]([CH3:16])[cH:23][cH:22]2)[cH:10][cH:11]1