Acetonitrile → 3-[4-Bromo-2-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiazol-5-yl]-2,5-dimethyl-7-(1-propyl-butyl)-pyrazolo[1,5-a]pyrimidine

HRID 149344Notes

Reaction equation

HRID 149344 reaction equation
[Br:30][N:31]1[C:32](=[O:33])[CH2:34][CH2:35][C:36]1=[O:37].[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6][c:7]([CH3:17])[cH:8][c:9]2[CH:10]([CH2:11][CH2:12][CH3:13])[CH2:14][CH2:15][CH3:16])[c:18]1-[c:19]1[cH:20][n:21][c:22](-[c:24]2[n:25]([CH3:29])[n:26][cH:27][n:28]2)[s:23]1.[CH3:38][C:39]#[N:40]>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6][c:7]([CH3:17])[cH:8][c:9]2[CH:10]([CH2:11][CH2:12][CH3:13])[CH2:14][CH2:15][CH3:16])[c:18]1-[c:19]1[c:20]([Br:30])[n:21][c:22](-[c:24]2[n:25]([CH3:29])[n:26][cH:27][n:28]2)[s:23]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 67184N-bromobutanimideHCID 674286482,5-Dimethyl-3-[2-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiazol-5-yl]-7-(1-propyl-butyl)-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 247588853-[4-Bromo-2-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiazol-5-yl]-2,5-dimethyl-7-(1-propyl-butyl)-pyrazolo[1,5-a]pyrimidine

Sources & evidence

ORD record
ord-0d0b1c09197b463c99cb945cd4d73aff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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