HRID285143

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：COC(=O)COc1ccc(OCC#Cc2cc(C#CCN3CCCCC3)cc(C#Cc3ccc(C(F)(F)F)cc3)c2)cc1C

HCID67158106

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCC#Cc2cc(C#CCN3CCCCC3)cc(C#Cc3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O

HCID24752598

(2-Methyl-4-{3-[3-(3-piperidin-1-yl-prop-1-ynyl)-5-(4-trifluoromethyl-phenylethynyl)-phenyl]-prop-2-ynyloxy}-phenoxy)-acetic acid

C35H30F3NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4625d5aab72c402988747c9d380e9400
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:43])[cH:8][c:9]([O:12][CH2:13][C:14]#[C:15][c:16]2[cH:17][c:18]([C:34]#[C:35][CH2:36][N:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:19][c:20]([C:22]#[C:23][c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:21]2)[cH:10][cH:11]1)=[O:44].[CH3:45][CH2:46][OH:47].[Na+:49].[OH-:48]>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:43])[cH:8][c:9]([O:12][CH2:13][C:14]#[C:15][c:16]2[cH:17][c:18]([C:34]#[C:35][CH2:36][N:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:19][c:20]([C:22]#[C:23][c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:21]2)[cH:10][cH:11]1)[OH:44]