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Acetate → 5-(2-aminophenyl)-2-butyl-1-(2-methylpropyl)-1H-imidazole-4-carbonitrile

HRID 90727
Notes
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Reaction equation

HRID 90727 reaction equation
[Br:36][c:37]1[c:38]([C:50]#[N:51])[n:39][c:40]([CH2:46][CH2:47][CH2:48][CH3:49])[n:41]1[CH2:42][CH:43]([CH3:44])[CH3:45].[CH2:61]([OH:62])[CH2:63][CH3:64].[NH2:26][c:27]1[c:28]([B:33]([OH:34])[OH:35])[cH:29][cH:30][cH:31][cH:32]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[OH2:65].[Pd+2:52].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH2:26][c:27]1[c:28](-[c:37]2[c:38]([C:50]#[N:51])[n:39][c:40]([CH2:46][CH2:47][CH2:48][CH3:49])[n:41]2[CH2:42][CH:43]([CH3:44])[CH3:45])[cH:29][cH:30][cH:31][cH:32]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium Ion2×HCID 962WaterHCID 10311-PropanolHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 2773216(2-Aminophenyl)boronic acid
HCID 585001335-bromo-2-butyl-1-(2-methylpropyl)-1H-imidazole-4-carbonitrile

Product 1

HCID 585001415-(2-aminophenyl)-2-butyl-1-(2-methylpropyl)-1H-imidazole-4-carbonitrile

Sources & evidence

ORD record
ord-4c2eebfae8914561907a3ed1a4a3798c
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