Sodium ion → TAK-603

HRID 1126963Notes

Reaction equation

HRID 1126963 reaction equation
[CH2:8]([CH3:9])[O:10][C:11](=[O:12])[c:13]1[c:14]([CH2:37][Cl:38])[n:15][c:16]2[cH:17][c:18]([O:35][CH3:36])[c:19]([O:33][CH3:34])[cH:20][c:21]2[c:22]1-[c:23]1[cH:24][c:25]([O:31][CH3:32])[c:26]([O:29][CH3:30])[cH:27][cH:28]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[H-:1].[Na+:2].[OH2:39].[nH:3]1[n:4][cH:5][n:6][cH:7]1>>[n:3]1([CH2:37][c:14]2[c:13]([C:11]([O:10][CH2:8][CH3:9])=[O:12])[c:22](-[c:23]3[cH:24][c:25]([O:31][CH3:32])[c:26]([O:29][CH3:30])[cH:27][cH:28]3)[c:21]3[c:16]([n:15]2)[cH:17][c:18]([O:35][CH3:36])[c:19]([O:33][CH3:34])[cH:20]3)[n:4][cH:5][n:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 92571H-1,2,4-TriazoleHCID 166653HydrideHCID 10813243Ethyl 2-chloromethyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate

Product 1

HCID 153980TAK-603

Sources & evidence

ORD record
ord-fa7fc859be14413bb269ca11f72dfaf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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