Acetic Acid → HCID 11755719, compound

HRID 145261Notes

Reaction equation

HRID 145261 reaction equation
[C:32]([BH3-:33])#[N:34].[CH3:36][C:37](=[O:38])[OH:39].[CH3:47][OH:48].[Na+:35].[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][c:16]3[cH:17][cH:18][c:19]([CH2:20][N:21]([CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH3:27])[cH:28][cH:29]3)[cH:30][cH:31]2)[n:3][cH:4][cH:5]1.[nH:40]1[c:41]([CH:45]=[O:46])[n:42][cH:43][cH:44]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][c:16]3[cH:17][cH:18][c:19]([CH2:20][N:21]([CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH3:27])[cH:28][cH:29]3)[cH:30][cH:31]2)[CH2:45][c:41]2[nH:40][cH:44][cH:43][n:42]2)[n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 249551H-imidazole-2-carbaldehydeHCID 498716Cyano-borohydrideHCID 21084429HCID 21084429, compound

Product 1

HCID 11755719HCID 11755719, compound

Sources & evidence

ORD record
ord-29814c2f5a4f402ea226fd8b09cd1c37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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