Acetic Acid → HCID 10028065, compound

HRID 1570779Notes

Reaction equation

HRID 1570779 reaction equation
[C:36]([BH3-:37])#[N:38].[CH3:28][n:29]1[c:30]([CH:34]=[O:35])[n:31][cH:32][cH:33]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][OH:45].[Na+:39].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][c:11]3[c:12]([s:13][c:14]([CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[cH:15]3)[cH:26][cH:27]2)[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:12]([s:13][c:14]([CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[cH:15]3)[cH:26][cH:27]2)[CH2:34][c:30]2[n:29]([CH3:28])[cH:33][cH:32][n:31]2)[n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 21084400HCID 21084400, compound

Product 1

HCID 10028065HCID 10028065, compound

Sources & evidence

ORD record
ord-cde98fd477964d88813e49810c9a12bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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