Sodium ion → TAK-603

HRID 2331439Notes

Reaction equation

HRID 2331439 reaction equation
[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:8][CH2:9][c:10]1[n:11][c:12]2[cH:13][c:14]([O:37][CH3:38])[c:15]([O:35][CH3:36])[cH:16][c:17]2[c:18](-[c:25]2[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:19]1[C:20](=[O:21])[O:22][CH2:23][CH3:24].[H-:6].[Na+:7].[OH2:44].[nH:1]1[n:2][cH:3][n:4][cH:5]1>>[n:1]1([CH2:9][c:10]2[n:11][c:12]3[cH:13][c:14]([O:37][CH3:38])[c:15]([O:35][CH3:36])[cH:16][c:17]3[c:18](-[c:25]3[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[c:19]2[C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:2][cH:3][n:4][cH:5]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-15adf5a5547740d7aa4a7a7a87bebf70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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