Sodium ion → 1-[[3-[2-(3-Cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2-ethylphenyl]methyl]piperidine-4-carboxylic acid

HRID 2131574Notes

Reaction equation

HRID 2131574 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[s:14][c:15](-[c:18]3[c:19]([CH2:36][CH3:37])[c:20]([CH2:24][N:25]4[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:29][CH2:30]4)[cH:21][cH:22][cH:23]3)[cH:16][n:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12].[CH:40]([OH:41])([CH3:42])[CH3:43].[Na+:39].[OH-:38].[OH2:44]>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[s:14][c:15](-[c:18]3[c:19]([CH2:36][CH3:37])[c:20]([CH2:24][N:25]4[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[OH:33])[CH2:29][CH2:30]4)[cH:21][cH:22][cH:23]3)[cH:16][n:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 3776IsopropanolHCID 66981800HCID 66981800, compound

Product 1

HCID 545769381-[[3-[2-(3-Cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2-ethylphenyl]methyl]piperidine-4-carboxylic acid

Sources & evidence

ORD record
ord-fa3d17f2bc824fb29270e19632ca444f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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