HRID193429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCCCCCC(Oc1ccc(C(=O)NCCC(=O)OC)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID67153427

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID11519344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90d3246ce5cb458584ae5f7a468edc90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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