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Potassium Cation → Methyl 3-[N-(2'-cyanobiphenyl-4-yl)methyl-N-valerylamino]-4-nitrobenzoate

HRID 153268
Notes
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Reaction equation

HRID 153268 reaction equation
[C:21](#[N:22])[c:23]1[c:24](-[c:29]2[cH:30][cH:31][c:32]([CH2:33][Br:34])[cH:35][cH:36]2)[cH:25][cH:26][cH:27][cH:28]1.[C:37](=[O:38])([O-:39])[O-:40].[K+:41].[K+:42].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:14][C:15]([CH2:16][CH2:17][CH2:18][CH3:19])=[O:20])[cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([N:14]([C:15]([CH2:16][CH2:17][CH2:18][CH3:19])=[O:20])[CH2:33][c:32]2[cH:31][cH:30][c:29](-[c:24]3[c:23]([C:21]#[N:22])[cH:28][cH:27][cH:26][cH:25]3)[cH:36][cH:35]2)[cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 15019124'-(Bromomethyl)-2-cyanobiphenylHCID 19792184Methyl 4-nitro-3-valerylaminobenzoate

Product 1

HCID 19792114
Methyl 3-[N-(2'-cyanobiphenyl-4-yl)methyl-N-valerylamino]-4-nitrobenzoate

Sources & evidence

ORD record
ord-32acf96f33e24a79a3ce754ab4ad9987
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