Acetic Acid → HCID 11719896, compound

HRID 1236386Notes

Reaction equation

HRID 1236386 reaction equation
[C:37]([BH3-:38])#[N:39].[C:41](=[O:42])([O-:43])[OH:44].[CH3:29][n:30]1[c:31]([CH:35]=[O:36])[n:32][cH:33][cH:34]1.[CH3:46][OH:47].[CH3:48][C:49](=[O:50])[OH:51].[Na+:40].[Na+:45].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][c:11]3[c:15]([cH:16][cH:17]2)[CH2:14][N:13]([CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28])[CH2:12]3)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][c:11]3[c:15]([cH:16][cH:17]2)[CH2:14][N:13]([CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28])[CH2:12]3)[CH2:35][c:31]2[n:30]([CH3:29])[cH:34][cH:33][n:32]2)[n:3][cH:4][cH:5]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 23155408HCID 23155408, compound

Product 1

HCID 11719896HCID 11719896, compound

Sources & evidence

ORD record
ord-9f3003a526db42b5bf62e034bd7be9ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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