Acetic Acid → HCID 178435677, compound

HRID 295735Notes

Reaction equation

HRID 295735 reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:34][c:35]1[cH:36][cH:37][cH:38][c:39]([CH:41]=[O:42])[n:40]1.[CH3:57][C:58](=[O:59])[OH:60].[CH3:61][CH2:62][OH:63].[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[CH3:70][C:71]([CH3:72])=[O:73].[Na+:56].[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([CH2:31][CH3:32])[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:33])[CH2:3][CH2:4][CH2:5][CH2:6]1>>[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([CH2:31][CH3:32])[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][N:14]([CH2:41][c:39]3[cH:38][cH:37][cH:36][c:35]([CH3:34])[n:40]3)[CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:33])[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 180AcetoneHCID 702EthanolHCID 923Sodium ionHCID 8058HexaneHCID 707376-Methyl-2-pyridinecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 22276494HCID 22276494, compound

Product 1

HCID 178435677HCID 178435677, compound

Sources & evidence

ORD record
ord-b7c2f0f072ae4ae1a4feb76ad464b8fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…