HRID1215937

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(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1

HCID57709029

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cncc(CC(=O)O)c2)c(C)c1

HCID57709203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caf7a586acb348409d357650b72f07c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[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]([O:28][CH2:29][CH:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[OH:35])[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:12]1)=[O:40].[CH3:43][OH:44].[Cl-:41].[NH4+:42].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[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]([O:28][CH2:29][CH:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[OH:35])[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:12]1)[OH:40]