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Acetone → HCID 178498347, compound

HRID 2128340
Notes
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Reaction equation

HRID 2128340 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([CH2:21][CH:22]([CH3:23])[CH3:24])[c:6]([C:17](=[O:18])[O:19][CH3:20])[c:7]([CH:14]([F:15])[F:16])[n:8][c:9]1[C:10]([F:11])([F:12])[F:13].[CH3:29][O-:30].[CH3:33][OH:34].[CH3:36][C:37]([CH3:38])=[O:39].[CH:25](=[O:26])[O:27][CH3:28].[ClH:32].[Na+:31].[OH2:35].[n:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:1]([CH:2]=[CH:25][OH:26])(=[O:3])[c:4]1[c:5]([CH2:21][CH:22]([CH3:23])[CH3:24])[c:6]([C:17](=[O:18])[O:19][CH3:20])[c:7]([CH:14]([F:15])[F:16])[n:8][c:9]1[C:10]([F:11])([F:12])[F:13]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 962WaterHCID 1049PyridineHCID 7865Methyl formateHCID 3826051Methoxide
HCID 20098194Methyl 5-acetyl-2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate

Product 1

HCID 178498347HCID 178498347, compound

Sources & evidence

ORD record
ord-2b150189d5904b459fc1c08ec9a01b6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes