Acetic Acid → HCID 18545229, compound

HRID 2153040Notes

Reaction equation

HRID 2153040 reaction equation
[C:42]([BH3-:43])#[N:44].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[NH:6][CH2:7][CH:8]([N:10]([CH2:11][c:12]2[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]2)[C:20]([CH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:9]1.[CH3:38][C:39](=[O:40])[OH:41].[CH:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]2[c:36]([cH:37]1)[O:35][CH2:34][O:33]2.[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([CH2:27][c:29]2[cH:30][cH:31][c:32]3[c:36]([cH:37]2)[O:35][CH2:34][O:33]3)[CH2:7][CH:8]([N:10]([CH2:11][c:12]2[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]2)[C:20]([CH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:9]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8438PiperonalHCID 498716Cyano-borohydrideHCID 18545211HCID 18545211, compound

Product 1

HCID 18545229HCID 18545229, compound

Sources & evidence

ORD record
ord-004666cec95a48f69d43f3a4e9e5bb37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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