Acetic Acid → HCID 58345793, compound

HRID 677508Notes

Reaction equation

HRID 677508 reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:33][n:34]1[c:35]([CH:39]=[O:40])[n:36][cH:37][cH:38]1.[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][OH:50].[Na+:44].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH2:29][CH2:30][CH3:31])[c:15]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28])[n:16]3)[cH:32]2)[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([n:14]([CH2:29][CH2:30][CH3:31])[c:15]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28])[n:16]3)[cH:32]2)[CH2:39][c:35]2[n:34]([CH3:33])[cH:38][cH:37][n:36]2)[nH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 23155549HCID 23155549, compound

Product 1

HCID 58345793HCID 58345793, compound

Sources & evidence

ORD record
ord-c2b91a695726405fb9e15ae239deabb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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