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Acetic Acid → O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine

HRID 106563
Notes
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Reaction equation

HRID 106563 reaction equation
[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:40][C:41](=[O:42])[OH:43].[Cl-:17].[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][OH:14])[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:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([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: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-olateHCID 15852209N-(4-Hydroxymethylbenzyl)trifluoroacetamide
HCID 29971937
6-(1-methylpyrrolidin-1-ium-1-yl)-7H-purin-2-amine

Product 1

HCID 178508951O6-[4-(Trifluoroacetamidomethyl)benzyl]guanine

Sources & evidence

ORD record
ord-f9f0afc506484238a9e40b5fbbc370cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes