Acetic Acid → HCID 10368369, compound

HRID 2158404Notes

Reaction equation

HRID 2158404 reaction equation
[C:38]([BH3-:39])#[N:40].[CH3:30][n:31]1[c:32]([CH:36]=[O:37])[n:33][cH:34][cH:35]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][OH:47].[Na+:41].[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[CH2:15][N:14]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]([CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29])[CH2:13][CH2:12]3)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[CH2:15][N:14]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]([CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29])[CH2:13][CH2:12]3)[CH2:36][c:32]2[n:31]([CH3:30])[cH:35][cH:34][n:33]2)[n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 23155462HCID 23155462, compound

Product 1

HCID 10368369HCID 10368369, compound

Sources & evidence

ORD record
ord-9fcfb759f11043b7890e1ba2b27c9271
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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