HRID695085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

结构：COc1ccc(F)cc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID11573122

未命名化合物

HCID21948834

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(C=Nc1cccc2nc(CN3CCOCC3)ccc12)C(F)(F)F

HCID21948905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de974d61c072400a9fdad53453791316
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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