Acetic Acid → HCID 58863836, compound

HRID 2322312Notes

Reaction equation

HRID 2322312 reaction equation
[C:33]([BH3-:34])#[N:35].[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:9][c:10]2[n:11][c:12]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:13][c:14]([N:16]([CH3:17])[CH3:18])[cH:15]2)[cH:6][cH:7][cH:8]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][OH:47].[CH:25](=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Na+:36].[Na+:41].[O-:37][C:38]([OH:39])=[O:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:9][c:10]2[n:11][c:12]([N:19]3[CH2:20][CH2:21][N:22]([CH2:25][c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[CH2:23][CH2:24]3)[n:13][c:14]([N:16]([CH3:17])[CH3:18])[cH:15]2)[cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 68563369HCID 68563369, compound

Product 1

HCID 58863836HCID 58863836, compound

Sources & evidence

ORD record
ord-897f48110295420182f2b28d949fc8c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…