Acetic Acid → HCID 90926694, compound

HRID 291347Notes

Reaction equation

HRID 291347 reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][P:7]([O:8][CH2:9][CH3:10])([O:11][CH2:12][CH3:13])=[O:14].[F:17][c:18]1[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[N:27]([CH3:28])[CH:29]2[CH2:30][CH2:31][c:32]3[n:33]([c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]4[c:40]3[CH:41]=[O:42])[CH2:43]2)[cH:22][cH:23]1.[H-:16].[Na+:15].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]=[CH:41][c:40]1[c:32]2[n:33]([c:34]3[cH:35][cH:36][cH:37][cH:38][c:39]31)[CH2:43][CH:29]([N:27]([S:24]([c:21]1[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]1)(=[O:25])=[O:26])[CH3:28])[CH2:30][CH2:31]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 13345Triethyl phosphonoacetateHCID 166653HydrideHCID 86636090HCID 86636090, compound

Product 1

HCID 90926694HCID 90926694, compound

Sources & evidence

ORD record
ord-7a520db065e64b628f26398b4b5d6e5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…