HRID299751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(CC)(c1ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1

HCID76599678

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)O)cc2)c(C)c1

HCID73201735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a38bcb5444bc4f168fa1956be2ed0fd2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:43])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:40])[c:25]([CH:28]=[CH:29][C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:26][cH:27]3)[CH2:41][CH3:42])[cH:17][cH:18]2)[cH:11][cH:12]1)=[O:44].[CH3:50][OH:51].[Na+:2].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:43])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:40])[c:25]([CH:28]=[CH:29][C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:26][cH:27]3)[CH2:41][CH3:42])[cH:17][cH:18]2)[cH:11][cH:12]1)[OH:44]