Sodium ion → 4-(4-Methyl-3'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-yl)-piperazine-1-carboxylic acid benzyl ester

HRID 321349Notes

Reaction equation

HRID 321349 reaction equation
[C:18](=[O:19])([O-:20])[O-:21].[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]([N:8]2[CH2:9][CH2:10][CH:11]([CH3:14])[CH2:12][CH2:13]2)[n:7]1.[Na+:22].[Na+:23].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[c:2]1([N:37]2[CH2:36][CH2:35][N:34]([C:32]([O:31][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:33])[CH2:39][CH2:38]2)[cH:3][cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]([N:8]2[CH2:9][CH2:10][CH:11]([CH3:14])[CH2:12][CH2:13]2)[n:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 643495Benzyl piperazine-1-carboxylateHCID 431526786'-Chloro-4-methyl-3'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl

Product 1

HCID 586385214-(4-Methyl-3'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-yl)-piperazine-1-carboxylic acid benzyl ester

Sources & evidence

ORD record
ord-b815a69f72cc445190b2f8be512e004c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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