Sodium ion → 6,7-Dimethoxy-4-(3,4-dimethoxyphenyl)-2-(2-ethylimidazol-1-ylmethyl)quinoline-3-carboxylic acid ethyl ester

HRID 282015

Reaction equation

HRID 282015 reaction equation
[CH2:10]([CH3:11])[O:12][C:13](=[O:14])[c:15]1[c:16]([CH2:39][Cl:40])[n:17][c:18]2[cH:19][c:20]([O:37][CH3:38])[c:21]([O:35][CH3:36])[cH:22][c:23]2[c:24]1-[c:25]1[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]1.[CH2:3]([CH3:4])[c:5]1[nH:6][cH:7][cH:8][n:9]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[H-:1].[Na+:2].[OH2:41]>>[CH2:3]([CH3:4])[c:5]1[n:6]([CH2:39][c:16]2[c:15]([C:13]([O:12][CH2:10][CH3:11])=[O:14])[c:24](-[c:25]3[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[c:23]3[c:18]([n:17]2)[cH:19][c:20]([O:37][CH3:38])[c:21]([O:35][CH3:36])[cH:22]3)[cH:7][cH:8][n:9]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 661302-EthylimidazoleHCID 166653HydrideHCID 10813243Ethyl 2-chloromethyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate

Product 1

HCID 108154226,7-Dimethoxy-4-(3,4-dimethoxyphenyl)-2-(2-ethylimidazol-1-ylmethyl)quinoline-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-e5797f202cc44bd296f72a9664cfca11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…