Acetic Acid → HCID 58345806, compound

HRID 1238890Notes

Reaction equation

HRID 1238890 reaction equation
[C:39]([BH3-:40])#[N:41].[CH3:31][n:32]1[c:33]([CH:37]=[O:38])[n:34][cH:35][cH:36]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[Na+:42].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[n:15]3[CH2:16][CH2:17][CH3:18])[cH:29][cH:30]2)[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[n:15]3[CH2:16][CH2:17][CH3:18])[cH:29][cH:30]2)[CH2:37][c:33]2[n:32]([CH3:31])[cH:36][cH:35][n:34]2)[nH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 23155584HCID 23155584, compound

Product 1

HCID 58345806HCID 58345806, compound

Sources & evidence

ORD record
ord-af3fd126fb4a469985bd8541a2873f41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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