Acetic Acid → HCID 11677024, compound

HRID 2154726Notes

Reaction equation

HRID 2154726 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][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[CH3:25])[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][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[CH3:25])[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 23155419HCID 23155419, compound

Product 1

HCID 11677024HCID 11677024, compound

Sources & evidence

ORD record
ord-de87ad407a2b403287dd09980908bb0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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