Acetic Acid → HCID 10223336, compound

HRID 2332676Notes

Reaction equation

HRID 2332676 reaction equation
[C:38]([BH3-:39])#[N:40].[C:8](#[N:9])[c:10]1[c:11]([NH:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:34][CH3:35])[c:23]3[n:24][c:25]([N:28]4[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]4)[s:26][c:27]23)[n:12]([CH3:15])[n:13][cH:14]1.[CH2:36]=[O:37].[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][C:47]#[N:48].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:41]>>[CH3:2][N:31]1[CH2:30][CH2:29][N:28]([c:25]2[n:24][c:23]3[c:22]([O:34][CH3:35])[cH:21][cH:20][c:19]([C:17]([NH:16][c:11]4[c:10]([C:8]#[N:9])[cH:14][n:13][n:12]4[CH3:15])=[O:18])[c:27]3[s:26]2)[CH2:33][CH2:32]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 10185914HCID 10185914, compound

Product 1

HCID 10223336HCID 10223336, compound

Sources & evidence

ORD record
ord-68d9765191f7457e9b830a78484c727e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…