HRID1227331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(=O)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1

HCID67003552

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(-c2cnc(NC(=O)Cc3ccccc3)c(Cc3ccccc3)n2)cc1

HCID67003292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfebe510883d41e58a755bb3946a34bf
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

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