HRID1113767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)Cc1ccccc1OCc1c(-c2ccc(F)cc2OC)ccc2c1C(C)=CC(C)(C)N2

HCID58026907

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)ccc1-c1ccc2c(c1COc1ccccc1CC(=O)O)C(C)=CC(C)(C)N2

HCID58026993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73e7b8b2e9ac4230ac6c2b3a660a5268
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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