HRID1210310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

结构：COc1cc(Cl)ccc1C(C)(C)CC(O)(C=O)C(F)(F)F

HCID21948937

未命名化合物

HCID69203614

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Cl)ccc1C(C)(C)CC(O)(C=Nc1cccc2nc(C(N)=O)ccc12)C(F)(F)F

HCID69203799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb234768fe83456989e68eff56bb5391
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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