Acetic Acid → HCID 24785717, compound

HRID 146868Notes

Reaction equation

HRID 146868 reaction equation
[C:36]([BH3-:37])#[N:38].[CH2:34]=[O:35].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][C:45]#[N:46].[Na+:39].[c:1]1([C:7]2([CH2:13][O:14][CH2:15][c:16]3[cH:17][c:18](-[c:26]4[cH:27][cH:28][c:29]([C:32]#[N:33])[cH:30][cH:31]4)[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([CH2:13][O:14][CH2:15][c:16]3[cH:17][c:18](-[c:26]4[cH:27][cH:28][c:29]([C:32]#[N:33])[cH:30][cH:31]4)[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[CH2:8][CH2:9][N:10]([CH3:36])[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 24785978HCID 24785978, compound

Product 1

HCID 24785717HCID 24785717, compound

Sources & evidence

ORD record
ord-abe2583b2a464c3cbfb333b5d6338bc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…