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Acetic Acid → HCID 178508947, compound

HRID 171281
Notes
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Reaction equation

HRID 171281 reaction equation
[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[CH3:51][C:52](=[O:53])[OH:54].[Cl-:17].[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][c:7]1[cH:8][c:9]([CH2:13][OH:14])[cH:10][cH:11][cH:12]1)([F:15])[F:16].[K+:39].[NH2:18][c:19]1[n:20][c:21]([N+:28]2([CH3:29])[CH2:30][CH2:31][CH2:32][CH2:33]2)[c:22]2[nH:23][cH:24][n:25][c:26]2[n:27]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50]>>[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][c:7]1[cH:8][c:9]([CH2:13][O:14][c:21]2[n:20][c:19]([NH2:18])[n:27][c:26]3[c:22]2[n:23][cH:24][nH:25]3)[cH:10][cH:11][cH:12]1)([F:15])[F:16]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312ChlorideHCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 45749132-Methylpropan-2-olate2×HCID 251497002,2,2-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
HCID 29971937
6-(1-methylpyrrolidin-1-ium-1-yl)-7H-purin-2-amine

Product 1

HCID 178508947HCID 178508947, compound

Sources & evidence

ORD record
ord-a066c06683914d52aba781af1c5f7047
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes