Acetic Acid → HCID 49771570, compound

HRID 1563029Notes

Reaction equation

HRID 1563029 reaction equation
[C:42]([BH3-:43])#[N:44].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][NH:24][CH2:25][c:26]3[n:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[cH:21][cH:22]2)=[O:33])[cH:13][cH:14]1.[CH3:34][n:35]1[c:36]([CH:40]=[O:41])[n:37][cH:38][cH:39]1.[CH3:48][OH:49].[CH3:50][C:51](=[O:52])[OH:53].[Na+:45].[Na+:47].[OH-:46]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]([CH2:25][c:26]3[n:27][cH:28][c:29]([CH3:32])[cH:30][cH:31]3)[CH2:40][c:36]3[n:35]([CH3:34])[cH:39][cH:38][n:37]3)[cH:21][cH:22]2)=[O:33])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 1395751-Methyl-2-imidazolecarboxaldehydeHCID 498716Cyano-borohydrideHCID 21084512HCID 21084512, compound

Product 1

HCID 49771570HCID 49771570, compound

Sources & evidence

ORD record
ord-298d5be277a0460098fe70f46beeaa4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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