Sodium ion → Octimibate

HRID 288602Notes

Reaction equation

HRID 288602 reaction equation
[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[H-:36].[Na+:37].[OH:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35].[c:1]1(-[n:7]2[c:8]([Cl:24])[n:9][c:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[c:8]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[n:9][c:10](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 698208-Hydroxyoctanoic acidHCID 166653HydrideHCID 12675128HCID 12675128, compound

Product 1

HCID 65676Octimibate

Sources & evidence

ORD record
ord-b00c349ff8d24efca0d4f00bc01b7536
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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