HRID109752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8471

Triethylamine

C6H15N

HCID10932

beta-Aminobutyric acid

C4H9NO2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID69951056

未命名化合物

PRODUCTS

生成物

结构：CC(CC(=O)O)NC(=O)CCC(=O)Nc1ccc(C=NN)cc1

HCID70061796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-854a91d2d7f34693a384d8953cbba961
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:18][N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][N:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][n:54]1)[CH3:55].[Cl:25][C:26]([O:27][CH2:28][CH:29]([CH3:30])[CH3:31])=[O:32].[NH2:1][N:2]=[CH:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])=[O:17])[cH:8][cH:9]1.[NH2:33][CH:34]([CH2:35][C:36](=[O:37])[OH:38])[CH3:39].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[NH2:1][N:2]=[CH:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([CH2:12][CH2:13][C:14](=[O:16])[NH:33][CH:34]([CH2:35][C:36](=[O:37])[OH:38])[CH3:39])=[O:17])[cH:8][cH:9]1