HRID2327607

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)nc3)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1

HCID86672650

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)nc3)cc(N(C)C3CCOCC3)c2C)c(=O)[nH]1

HCID70872396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b0f1adc73394816aacc9ca612e0f153
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:44]([BH3-:45])#[N:46].[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[c:14]([CH3:35])[c:15]([N:27]([CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[CH3:34])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH:25]=[O:26])[cH:23][cH:24]3)[cH:18]2)=[O:36])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:37][NH:38][CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:48][OH:49].[Na+:47]>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[c:14]([CH3:35])[c:15]([N:27]([CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[CH3:34])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH2:25][N:38]([CH3:37])[CH3:39])[cH:23][cH:24]3)[cH:18]2)=[O:36])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1