Methanol → 4-[2-(4-Tert-butoxycarbonylpiperazin-1-yl)thiazol-4-ylmethoxy]benzoic acid

HRID 700423Notes

Reaction equation

HRID 700423 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[n:12][c:13]([N:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[s:14][cH:15]2)[cH:29][cH:30]1.[CH3:33][OH:34].[Na+:32].[OH-:31].[OH2:40]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[n:12][c:13]([N:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[s:14][cH:15]2)[cH:29][cH:30]1

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 18186636Tert-butyl 4-(4-(4-methoxycarbonylphenoxymethyl)thiazol-2-yl]piperazine-1-carboxylate

Product 1

HCID 181865134-[2-(4-Tert-butoxycarbonylpiperazin-1-yl)thiazol-4-ylmethoxy]benzoic acid

Sources & evidence

ORD record
ord-f5ae7c1e63bf40a894049dfe3fd5d9aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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