HRID1213070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID70703

Butanoic acid, 4-(methylamino)-

C5H11NO2

结构：CCc1cnc2c(c1)C(=O)N1C(=O)C(C)(C(C)C)N=C21

HCID13730716

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)N(C)CCCC(=O)O)c1

HCID22450185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7ba4c4a90c748519c3904063e460b6b
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

[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]2[c:6]([n:7][cH:8]1)[C:9]1=[N:15][C:14]([CH3:16])([CH:17]([CH3:18])[CH3:19])[C:13](=[O:20])[N:10]1[C:11]2=[O:12].[CH3:22][NH:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[ClH:21].[ClH:37].[OH2:43]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:11](=[O:12])[N:23]([CH3:22])[CH2:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29])[c:6]([C:9]2=[N:15][C:14]([CH3:16])([CH:17]([CH3:18])[CH3:19])[C:13](=[O:20])[NH:10]2)[n:7][cH:8]1