Sodium ion → 3'-chloro-4-(1-phenyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

HRID 681044Notes

Reaction equation

HRID 681044 reaction equation
[C:27]([O:28][BH-:29]([O:30][C:31](=[O:32])[CH3:33])[O:34][C:35](=[O:36])[CH3:37])(=[O:38])[CH3:39].[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+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[c:14]1(-[n:20]2[n:21][cH:22][c:23]([CH:25]=[O:26])[cH:24]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:25][c:23]3[cH:22][n:21][n:20](-[c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[cH:24]3)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 9520891-Phenyl-1H-pyrazole-4-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 140864382-Chloro-3-(piperazin-1-yl)pyrazine

Product 1

HCID 866416623'-chloro-4-(1-phenyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Sources & evidence

ORD record
ord-a55e6671ccd94fc88aaecadaf08735d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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