HRID1227774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID58494103

Ethyl 3-(4-{[3-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-ethylphenyl]methyl}-1-piperidinyl)propanoate

C30H38ClN3O3S

PRODUCTS

产物

HCID58494146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8429802ce99747719b28b98d5a50e578
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

[CH:41]([OH:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([CH2:37][CH3:38])[c:19]([CH2:23][CH:24]4[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[n:15][s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:40].[OH-:39].[OH2:45]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([CH2:37][CH3:38])[c:19]([CH2:23][CH:24]4[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][C:32](=[O:33])[OH:34])[CH2:28][CH2:29]4)[cH:20][cH:21][cH:22]3)[n:15][s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]