Sodium ion → 3'-Chloro-4-(1,3-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

HRID 146258Notes

Reaction equation

HRID 146258 reaction equation
[C:23]([O:24][BH-:25]([O:26][C:27](=[O:28])[CH3:29])[O:30][C:31](=[O:32])[CH3:33])(=[O:34])[CH3:35].[CH3:14][n:15]1[n:16][c:17]([CH3:22])[c:18]([CH:20]=[O:21])[cH:19]1.[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[Na+:36].[Na+:38].[OH-:37]>>[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:20][c:18]3[c:17]([CH3:22])[n:16][n:15]([CH3:14])[cH:19]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 961HydroxideHCID 8472851,3-dimethyl-1H-pyrazole-4-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 140864382-Chloro-3-(piperazin-1-yl)pyrazine

Product 1

HCID 866416563'-Chloro-4-(1,3-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

Sources & evidence

ORD record
ord-41097ba366854d40b9563592be15aba5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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