Acetic Acid → HCID 57678157, compound

HRID 311108Notes

Reaction equation

HRID 311108 reaction equation
[C:22]([OH:23])(=[O:24])[CH3:25].[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[C:46](=[O:47])([O-:48])[O-:49].[C:8](=[O:9])([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[N:15]1[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]1.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][CH:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[Cl:57][CH2:58][Cl:59].[K+:40].[K+:41].[Na+:39].[Na+:50].[Na+:51].[O-:42][C:43]([O-:44])=[O:45]>>[CH3:1][CH:2]1[CH2:3][CH2:4][N:5]([CH:18]2[CH2:17][CH2:16][N:15]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:20][CH2:19]2)[CH2:6][CH2:7]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ion3×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 19660Carbonate Ion2×HCID 693814-MethylpiperidineHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 2724942Triacetoxyborohydride

Product 1

HCID 57678157HCID 57678157, compound

Sources & evidence

ORD record
ord-353644e538da457bbbe2651ccfa45b8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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