HRID149873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID90297

1-(Bromomethyl)-2,4-difluorobenzene

C7H5BrF2

结构：CNC(=O)c1ccc(C)c(-n2c(C)cc(O)c(Br)c2=O)c1

HCID54746389

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1

HCID22049997

PH 797804

C22H19BrF2N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6534984374874809b29f040b77f83ed0
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

[Br:1][c:2]1[c:3](=[O:21])[n:4](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][CH3:16])[cH:17][cH:18][c:19]2[CH3:20])[c:5]([CH3:9])[cH:6][c:7]1[OH:8].[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][N:29]1[CH2:30][CH2:31][CH2:32][C:33]1=[O:34].[F:35][c:36]1[c:37]([CH2:38][Br:39])[cH:40][cH:41][c:42]([F:44])[cH:43]1.[K+:26].[K+:27].[OH2:45]>>[Br:1][c:2]1[c:3](=[O:21])[n:4](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][CH3:16])[cH:17][cH:18][c:19]2[CH3:20])[c:5]([CH3:9])[cH:6][c:7]1[O:8][CH2:38][c:37]1[c:36]([F:35])[cH:43][c:42]([F:44])[cH:41][cH:40]1