HRID113787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(Oc1cccc(C2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1)C(=O)OCc1ccccc1

HCID68883866

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Oc1cccc(C2CCCN(C(=O)NCc3ccc(C(F)(F)F)cc3)C2)c1)C(=O)O

HCID11662670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60e1a528ba5940adaf74f8b8c3b7f03a
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

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