Acetic Acid → HCID 11606324, compound

HRID 1221614Notes

Reaction equation

HRID 1221614 reaction equation
[C:42]([BH3-:43])#[N:44].[CH3:34][n:35]1[c:36]([CH:40]=[O:41])[n:37][cH:38][cH:39]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][OH:51].[Na+:45].[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]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33]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]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33]2)[CH2:40][c:36]2[n:35]([CH3:34])[cH:39][cH:38][n:37]2)[n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 23155538HCID 23155538, compound

Product 1

HCID 11606324HCID 11606324, compound

Sources & evidence

ORD record
ord-a4eec9ce9e5943ab9db50004ae9fd9c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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