Sodium ion → 4-[(4-Benzyloxy-3,5-dichloro-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile

HRID 676285Notes

Reaction equation

HRID 676285 reaction equation
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][c:25]1[c:26]([Cl:34])[cH:27][c:28]([CH2:32][Br:33])[cH:29][c:30]1[Cl:31].[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].[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)[CH2:32][c:28]2[cH:27][c:26]([Cl:34])[c:25]([O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:30]([Cl:31])[cH:29]2)[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-HCID 167491172-Benzyloxy-5-bromomethyl-1,3-dichloro-benzene

Product 1

HCID 167495504-[(4-Benzyloxy-3,5-dichloro-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile

Sources & evidence

ORD record
ord-f1e011894b364a319d8e27953f22e64a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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