Sodium ion → HCID 44547174, compound

HRID 90256Notes

Reaction equation

HRID 90256 reaction equation
[CH:36]([OH:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([F:33])[cH:19][cH:20][c:21]4[c:22]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:23][nH:24][c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Na+:35].[OH-:34].[OH2:40]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[c:18]([F:33])[cH:19][cH:20][c:21]4[c:22]([CH2:26][CH2:27][C:28](=[O:29])[OH:30])[cH:23][nH:24][c:25]34)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 59146158Ethyl 3-[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-fluoro-1H-indol-3-yl]propanoate

Product 1

HCID 44547174HCID 44547174, compound

Sources & evidence

ORD record
ord-e350b140d939447794ecfd9fa593af2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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