HRID1216062

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

HCID8857

Ethyl acetate

C4H8O2

HCID10394

Benzenepropanoic acid, 4-hydroxy-

C9H10O3

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID60663854

未命名化合物

PRODUCTS

生成物

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

HCID69120490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fffae3c144641afb803afd9865974d8
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

[B-:30]([F:31])([F:32])([F:33])[F:34].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[F:13][c:14]1[c:15]([CH2:16][NH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:25][cH:26][c:27]([F:29])[cH:28]1.[Na+:61].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[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:62][C:63](=[O:64])[O-:65].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]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:28][c:27]([F:29])[cH:26][cH:25]2)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:6][cH:7]1