HRID2132090

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID2781223

5-BROMONICOTINOYL CHLORIDE

C6H3BrClNO

HCID22724026

未命名化合物

PRODUCTS

产物

HCID23298113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-530984f45d0049a89a568d4ecb6bc060
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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