HRID676645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)OC)c(F)c3)c(C)c2)cc1C

HCID57708950

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)O)c(F)c3)c(C)c2)cc1C

HCID57708992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c73193f2bdb841cb870e193d449f167c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:3][O:4][C:5]([CH2:6][c:7]1[c:8]([F:40])[cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([CH2:28][CH2:29][C:30]([CH2:31][CH3:32])([OH:33])[CH2:34][CH3:35])[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:11][cH:12]1)=[O:41].[CH3:44][OH:45].[Cl-:42].[NH4+:43].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[c:8]([F:40])[cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([CH2:28][CH2:29][C:30]([CH2:31][CH3:32])([OH:33])[CH2:34][CH3:35])[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:11][cH:12]1)[OH:41]