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

HRID 1141642Notes

Reaction equation

HRID 1141642 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:16][c:17]1[c:18]([CH:28]=[O:29])[cH:19][n:20][n:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:55][C:56](=[O:57])[OH:58].[Cl:3][c:4]1[c:5]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[n:6][cH:7][cH:8][n:9]1.[Cl:51][CH2:52][CH2:53][Cl:54].[ClH:1].[ClH:2].[Na+:50]>>[Cl:3][c:4]1[c:5]([N:10]2[CH2:11][CH2:12][N:13]([CH2:28][c:18]3[c:17]([CH3:16])[n:21](-[c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[n:20][cH:19]3)[CH2:14][CH2:15]2)[n:6][cH:7][cH:8][n:9]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 923Sodium ionHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 27764375-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehydeHCID 140864382-Chloro-3-(piperazin-1-yl)pyrazine

Product 1

HCID 866416633'-chloro-4-(5-methyl-1-phenyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Sources & evidence

ORD record
ord-83978ccdb9194aa4a4e712b82552d612
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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