HRID1561857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CN

HCID11065838

未命名化合物

HCID59570146

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CNCc1cncc(C(C)(C)F)c1

HCID72328709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d0970d2e11f24422860d37c8766c7691
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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