Acetic Acid → HCID 68891896, compound

HRID 678452Notes

Reaction equation

HRID 678452 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[N:24]1[CH2:25][CH2:26][C:27](=[O:30])[CH2:28][CH2:29]1.[C:40]([OH:41])(=[O:42])[CH3:43].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([C:13]2([NH2:16])[CH2:14][CH2:15]2)[CH2:11][CH2:12]1.[CH2:31]=[O:32].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[Na+:34].[OH-:33]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([C:13]2([N:16]([CH:27]3[CH2:26][CH2:25][N:24]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:29][CH2:28]3)[CH3:31])[CH2:14][CH2:15]2)[CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 231376661-(1-Benzylpyrrolidin-3-YL)cyclopropanamine

Product 1

HCID 68891896HCID 68891896, compound

Sources & evidence

ORD record
ord-dcfc59e8a1ad4a73af31bd1f43e35837
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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