Acetic Acid → HCID 12146692, compound

HRID 2125483Notes

Reaction equation

HRID 2125483 reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH3:29][OH:30].[NH2:15][CH2:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1.[OH2:28]>>[CH:2]1([NH:15][CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 1001PhenethylamineHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylate

Product 1

HCID 12146692HCID 12146692, compound

Sources & evidence

ORD record
ord-fa4f978f93f6437d8b9abcbbc1b1283d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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