Acetic Acid → HCID 178463258, compound

HRID 2125895Notes

Reaction equation

HRID 2125895 reaction equation
[C:48]([BH3-:49])#[N:50].[CH3:45][C:46]#[N:47].[CH3:52][C:53](=[O:54])[OH:55].[CH:42]([CH3:43])=[O:44].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH2:12][c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1)[C:9](=[O:19])[CH:8]([NH:20][C:21]([CH:22]([CH2:23][CH:24]([CH3:25])[CH3:26])[NH:27][C:28]([C:29]([CH3:30])([CH3:31])[NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])=[O:40])=[O:41])[CH2:7]2.[Na+:51]>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH2:12][c:13]1[n:14][cH:15][cH:16][cH:17][cH:18]1)[C:9](=[O:19])[CH:8]([NH:20][C:21]([CH:22]([CH2:23][CH:24]([CH3:25])[CH3:26])[NH:27][C:28]([C:29]([CH3:30])([CH3:31])[NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])=[O:40])=[O:41])[CH2:7]2)[CH2:42][CH3:43]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 178446580HCID 178446580, compound

Product 1

HCID 178463258HCID 178463258, compound

Sources & evidence

ORD record
ord-f8adf549350f4639ae5c6e9175208100
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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