HRID1563770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

结构：O=C(Cl)c1cc(OCc2ccccc2)ccc1OCC(F)(F)F

HCID13037179

未命名化合物

HCID13563588

6-(Aminomethyl)-2(1H)-pyridinone

C6H8N2O

PRODUCTS

生成物

结构：O=C(NCc1cccc(=O)[nH]1)c1cc(OCc2ccccc2)ccc1OCC(F)(F)F

HCID13563591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b31808c1877147a1b7024af58685533c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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