HRID1566764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

结构：Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C=O)cc3)cc(NC3CCCC3)c2C)c(=O)[nH]1

HCID86672639

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)cc3)cc(NC3CCCC3)c2C)c(=O)[nH]1

HCID70872305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d81560588fe74bba8077eb51085dc9db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:42]([BH3-:43])#[N:44].[CH3:35][NH:36][CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:46][OH:47].[CH:1]1([NH:6][c:7]2[c:8]([CH3:34])[c:9]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[c:26](=[O:33])[nH:27][c:28]([CH3:32])[cH:29][c:30]3[CH3:31])[cH:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([CH:19]=[O:20])[cH:17][cH:18]3)[cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:45]>>[CH:1]1([NH:6][c:7]2[c:8]([CH3:34])[c:9]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[c:26](=[O:33])[nH:27][c:28]([CH3:32])[cH:29][c:30]3[CH3:31])[cH:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][N:36]([CH3:35])[CH3:37])[cH:17][cH:18]3)[cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1