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Methanol → 4-{2-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-benzoic acid

HRID 1568386
Notes
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Reaction equation

HRID 1568386 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([F:37])[c:8]([NH:11][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:20]2[n:21](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[n:22][c:23]3[c:28]2[CH2:27][CH2:26][CH2:25][CH2:24]3)=[O:36])[cH:9][cH:10]1)=[O:38].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][OH:47].[Li+:39].[OH-:40]>>[O:3]=[C:4]([c:5]1[cH:6][c:7]([F:37])[c:8]([NH:11][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:20]2[n:21](-[c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[n:22][c:23]3[c:28]2[CH2:27][CH2:26][CH2:25][CH2:24]3)=[O:36])[cH:9][cH:10]1)[OH:38]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 671312674-{2-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-benzoic acid ethyl ester

Product 1

HCID 45110514
4-{2-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-benzoic acid

Sources & evidence

ORD record
ord-8ab73053620e4a69a41e952d29e5ca17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes