Hydrochloric Acid → 4-[5-Methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid

HRID 2151267Notes

Reaction equation

HRID 2151267 reaction equation
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[s:15][c:16]([CH3:28])[c:17](-[c:19]3[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]3)[n:18]2)[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[CH2:29]=[O:30].[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[ClH:31]>>[CH3:6][N:8]1[CH2:9][CH2:10][N:11]([c:14]2[s:15][c:16]([CH3:28])[c:17](-[c:19]3[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]3)[n:18]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 312751,4-DioxaneHCID 575519874-[4-(4-Carboxyphenyl)-5-methylthiazol-2-yl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 598073194-[5-Methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid

Sources & evidence

ORD record
ord-66d08ab5ca924633b1ca07c40b01e942
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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