HRID1151314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID98103

Ethyl 3-aminobutyrate

C6H13NO2

HCID69949286

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(C)NC(=O)C1CC1C(=O)Nc1ccc(C=NN)cc1

HCID67852831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bf4b01d3f554d92b606e318b3a03685
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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