Hydrogen Bromide → 2-Chloro-1-[4-(4-methyl-3'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-yl)-piperazin-1-yl]-ethanone

HRID 2126777Notes

Reaction equation

HRID 2126777 reaction equation
[BrH:1].[BrH:2].[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:3][CH:4]1[CH2:5][CH2:6][N:7]([c:10]2[n:11][c:12]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:8][CH2:9]1.[Cl:32][CH2:33][C:34](=[O:35])[Cl:36].[Cl:37][CH2:38][Cl:39]>>[CH3:3][CH:4]1[CH2:5][CH2:6][N:7]([c:10]2[n:11][c:12]([N:19]3[CH2:20][CH2:21][N:22]([C:34]([CH2:33][Cl:32])=[O:35])[CH2:23][CH2:24]3)[cH:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 260Hydrogen Bromide2×HCID 6344DichloromethaneHCID 6577Chloroacetyl chlorideHCID 8471TriethylamineHCID 586385081-[6-(4-Methylpiperidin-1-yl)-5-nitro-2-pyridinyl]piperazine

Product 1

HCID 586385062-Chloro-1-[4-(4-methyl-3'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-yl)-piperazin-1-yl]-ethanone

Sources & evidence

ORD record
ord-b34dd08314fc4c1eb92d6690258f8acb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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