Acetic Acid → HCID 57898918, compound

HRID 2145297Notes

Reaction equation

HRID 2145297 reaction equation
[Br:1][c:2]1[c:3]([O:15][c:16]2[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]2[F:22])[cH:4][c:5]([NH:8][c:9]2[s:10][cH:11][c:12]([CH3:14])[n:13]2)[n:6][cH:7]1.[C:36](=[O:37])([OH:38])[O-:39].[C:46]([OH:47])(=[O:48])[CH3:49].[CH2:26]([Li:27])[CH2:28][CH2:29][CH3:30].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:24][Li:25].[Na+:40].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35]>>[c:2]1([CH:32]=[O:31])[c:3]([O:15][c:16]2[c:17]([F:23])[cH:18][cH:19][cH:20][c:21]2[F:22])[cH:4][c:5]([NH:8][c:9]2[s:10][cH:11][c:12]([CH3:14])[n:13]2)[n:6][cH:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 24826754HCID 24826754, compoundHCID 178418339ButyllithiumHCID 178418348HCID 178418348, compound

Product 1

HCID 57898918HCID 57898918, compound

Sources & evidence

ORD record
ord-aa5a38ff8f224e11a6280080c223b04d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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