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Acetic Acid → 5-Bromo-1-methyl-3-(4-(1-methylazetidin-3-yl)phenylamino)pyrazin-2(1H)-one

HRID 1212222
Notes
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Reaction equation

HRID 1212222 reaction equation
[CH2:22]=[O:23].[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][OH:29].[ClH:1].[NH:2]1[CH2:3][CH:4]([c:6]2[cH:7][cH:8][c:9]([NH:12][c:13]3[c:14](=[O:21])[n:15]([CH3:20])[cH:16][c:17]([Br:19])[n:18]3)[cH:10][cH:11]2)[CH2:5]1>>[N:2]1([CH3:24])[CH2:3][CH:4]([c:6]2[cH:7][cH:8][c:9]([NH:12][c:13]3[c:14](=[O:21])[n:15]([CH3:20])[cH:16][c:17]([Br:19])[n:18]3)[cH:10][cH:11]2)[CH2:5]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 887MethanolHCID 580441813-[4-(Azetidin-3-yl)anilino]-5-bromo-1-methylpyrazin-2-one

Product 1

HCID 580439355-Bromo-1-methyl-3-(4-(1-methylazetidin-3-yl)phenylamino)pyrazin-2(1H)-one

Sources & evidence

ORD record
ord-da801441463040dfbf4efb48890c0045
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes