HRID134959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

HCID57665916

4-Methyl-2-{4'-trifluoromethyl-5-[1-(4-trifluoromethyl-phenyl)-piperidin-4-yl]-biphenyl-3-yl}-pentanoic acid ethyl ester

C33H35F6NO2

PRODUCTS

生成物

结构：CC(C)CC(C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1

HCID25266922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6034bd354e1d4fcbb9c4bad606df1aad
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

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