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Methanol → 5-(4-Fluoro-phenyl)-3-[isopropyl-(4-methyl-cyclohex-3-enecarbonyl)-amino]-thiophene-2-carboxylic acid

HRID 1146789
Notes
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Reaction equation

HRID 1146789 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH:15]=[C:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]([CH3:21])[CH3:22].[CH3:38][OH:39].[Li+:31].[OH-:30].[OH2:32].[OH2:40]>>[O:2]=[C:3]([OH:4])[c:5]1[s:6][c:7](-[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH:15]=[C:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]([CH3:21])[CH3:22]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 597522855-(4-Fluoro-phenyl)-3-[isopropyl-(4-methyl-cyclohex-3-enecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 10408756
5-(4-Fluoro-phenyl)-3-[isopropyl-(4-methyl-cyclohex-3-enecarbonyl)-amino]-thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-5c9a8d425694489b82fab2320d0c8c04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes