HRID174552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID2736299

1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride

C6H7ClN2O

HCID57505455

未命名化合物

PRODUCTS

产物

HCID57505547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0503bea40269451196d0d7740d36a981
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

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