HRID186021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID9005

Trimethoxymethane

C4H10O3

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID69861

4-tert-Butylaniline

C10H15N

HCID498716

未命名化合物

HCID22311094

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NCc2ccc(C(=O)NCC(O)C(=O)O)cc2)cc1

HCID22311104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa17cd6d71cb42cf84463c2c8e3a888c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:18]([CH3:19])([CH3:20])([CH3:21])[c:22]1[cH:23][cH:24][c:25]([NH2:26])[cH:27][cH:28]1.[C:33]([BH3-:34])#[N:35].[CH3:29][C:30](=[O:31])[OH:32].[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH3:44][O:45][CH:46]([O:47][CH3:48])[O:49][CH3:50].[CH3:51][OH:52].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][CH:11]([C:12](=[O:13])[OH:14])[OH:15])[cH:16][cH:17]1.[Na+:36]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][CH:11]([C:12](=[O:13])[OH:14])[OH:15])[cH:16][cH:17]1)[NH:26][c:25]1[cH:24][cH:23][c:22]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:28][cH:27]1