HRID2320660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10394

Benzenepropanoic acid, 4-hydroxy-

C9H10O3

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID24690356

未命名化合物

PRODUCTS

生成物

结构：CCCN(Cc1ccc(F)cc1F)C(=O)CCc1ccc(O)cc1

HCID69120491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d79a5a77d844f03ac655c6ccd3093bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[B-:26]([F:27])([F:28])([F:29])[F:30].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[F:13][c:14]1[c:15]([CH2:16][NH:17][CH2:18][CH2:19][CH3:20])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[Na+:57].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:6][cH:7]1.[OH:58][C:59](=[O:60])[O-:61].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:12])[N:17]([CH2:16][c:15]2[c:14]([F:13])[cH:24][c:23]([F:25])[cH:22][cH:21]2)[CH2:18][CH2:19][CH3:20])[cH:6][cH:7]1