HRID952628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2772380

4-methoxy-6-methyl-2-(methylsulfonyl)pyrimidine

C7H10N2O3S

结构：COc1ccc(CCOC(c2ccccc2)(c2ccccc2)C(O)C(=O)O)cc1OC

HCID11122687

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)nc(OC(C(=O)O)C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1

HCID10768897

β-[2-(3,4-Dimethoxyphenyl)ethoxy]-α-[(4-methoxy-6-methyl-2-pyrimidinyl)oxy]-β-phenylbenzenepropanoic acid

C31H32N2O7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53af8e4167564e659bcd9679973eb2fa
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:39][O:40][c:41]1[n:42][c:43]([S:48]([CH3:49])(=[O:50])=[O:51])[n:44][c:45]([CH3:47])[cH:46]1.[H-:38].[Na+:37].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH2:52].[OH:1][CH:2]([C:3](=[O:4])[OH:5])[C:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][CH2:20][CH2:21][c:22]1[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][cH:27]1>>[O:1]([CH:2]([C:3](=[O:4])[OH:5])[C:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][CH2:20][CH2:21][c:22]1[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][cH:27]1)[c:43]1[n:42][c:41]([O:40][CH3:39])[cH:46][c:45]([CH3:47])[n:44]1