HRID155275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108

3-Pyridineacetic acid

C7H7NO2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID4532027

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)Cc1cccnc1)C(=O)OC(C)(C)C

HCID178449436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ca7d8f100164517bcf6c65c895f9b2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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