Ammonium → 1-[4-(3'-Amino-4-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-yl)-piperazin-1-yl]-2-morpholin-4-yl-ethanone

HRID 304450Notes

Reaction equation

HRID 304450 reaction equation
[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([C:23]([CH2:24][N:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)=[O:31])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[N+:14]([O-:15])=[O:16])[CH2:6][CH2:7]1.[CH3:32][CH2:33][OH:34].[Cl-:35].[Fe:42].[NH4+:36].[Na+:41].[O-:37][C:38]([OH:39])=[O:40].[OH2:43]>>[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([C:23]([CH2:24][N:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)=[O:31])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[NH2:14])[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 23925IronHCID 586385121-[4-(4-Methyl-3'-nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-yl)-piperazin-1-yl]-2-morpholin-4-yl-ethanone

Product 1

HCID 586385201-[4-(3'-Amino-4-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-6'-yl)-piperazin-1-yl]-2-morpholin-4-yl-ethanone

Sources & evidence

ORD record
ord-88113413a9244b539d44c51012983520
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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