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Sodium Ion → 4-[(3-benzoyloxy-4-fluorobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

HRID 684650
Notes
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Reaction equation

HRID 684650 reaction equation
[Br:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([F:34])[c:23]([O:25][C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[cH:24]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[H-:1].[Na+:2].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46].[n:3]1[n:4][cH:5][n:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[cH:7]1>>[n:3]1[n:4][cH:5][n:6]([N:8]([c:9]2[cH:10][cH:11][c:12]([C:13]#[N:14])[cH:15][cH:16]2)[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:34])[c:23]([O:25][C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[cH:24]2)[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-HCID 167478383-Benzoyloxy-4-fluorobenzyl bromide

Product

1
HCID 167492214-[(3-benzoyloxy-4-fluorobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

Sources & evidence

ORD record
ord-78e4b51b1e1d4041a351f0efae5459d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes