Acetic Acid → HCID 21084423, compound

HRID 1559686Notes

Reaction equation

HRID 1559686 reaction equation
[C:28]([BH3-:29])#[N:30].[CH3:32][C:33](=[O:34])[OH:35].[CH3:43][OH:44].[Na+:31].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][O:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[cH:26][cH:27]2)[n:3][cH:4][cH:5]1.[nH:36]1[c:37]([CH:41]=[O:42])[n:38][cH:39][cH:40]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][O:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[cH:26][cH:27]2)[CH2:41][c:37]2[nH:36][cH:40][cH:39][n:38]2)[n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 249551H-imidazole-2-carbaldehydeHCID 498716Cyano-borohydrideHCID 21084428HCID 21084428, compound

Product 1

HCID 21084423HCID 21084423, compound

Sources & evidence

ORD record
ord-16e3f18f9f6948b3ab92fab30eb924d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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