Acetonitrile → YM511 (pharmaceutical)

HRID 153482Notes

Reaction equation

HRID 153482 reaction equation
[Br:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][Br:21])[cH:22][cH:23]1.[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][n:10]2[cH:11][n:12][n:13][cH:14]2)[cH:7][cH:8]1.[CH3:24][C:25]#[N:26]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([N:9]([n:10]2[cH:11][n:12][n:13][cH:14]2)[CH2:20][c:19]2[cH:18][cH:17][c:16]([Br:15])[cH:23][cH:22]2)[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 685274-Bromobenzyl bromideHCID 10307909Benzonitrile, 4-(4H-1,2,4-triazol-4-ylamino)-

Product 1

HCID 177865YM511 (pharmaceutical)

Sources & evidence

ORD record
ord-329845f1aa3c4987a890807df9e258d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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