Acetic Acid → 1-(1-Methyl(4-piperidyl))-6-nitroindoline

HRID 96116

Reaction equation

HRID 96116 reaction equation
[C:21]([OH:22])(=[O:23])[CH3:24].[CH3:13][N:14]1[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]1.[Cl:30][CH:31]([Cl:32])[CH3:33].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:11]([cH:12]1)[NH:10][CH2:9][CH2:8]2.[Na+:29].[O-:25][C:26]([OH:27])=[O:28]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:11]([cH:12]1)[N:10]([CH:17]1[CH2:16][CH2:15][N:14]([CH3:13])[CH2:19][CH2:18]1)[CH2:9][CH2:8]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 297576-NitroindolineHCID 740491-Methyl-4-piperidone

Product 1

HCID 187966231-(1-Methyl(4-piperidyl))-6-nitroindoline

Sources & evidence

ORD record
ord-fbd4cc0902954c1b850023d8df6878a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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