Acetic Acid → HCID 68650472, compound

HRID 1238994Notes

Reaction equation

HRID 1238994 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[F:1][c:2]1[cH:3][c:4](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:5][cH:6][c:7]1[CH:8]=[O:9].[NH2:16][c:17]1[c:18]([C:31](=[O:32])[NH:33][CH3:34])[n:19][c:20](-[c:23]2[cH:24][c:25]([CH2:29][NH2:30])[cH:26][cH:27][cH:28]2)[cH:21][n:22]1.[Na+:43].[O-:39][C:40]([OH:41])=[O:42]>>[F:1][c:2]1[cH:3][c:4](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:5][cH:6][c:7]1[CH2:8][NH:30][CH2:29][c:25]1[cH:24][c:23](-[c:20]2[n:19][c:18]([C:31](=[O:32])[NH:33][CH3:34])[c:17]([NH2:16])[n:22][cH:21]2)[cH:28][cH:27][cH:26]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 167685272-Fluoro-4-phenylbenzaldehydeHCID 58710591HCID 58710591, compound

Product 1

HCID 68650472HCID 68650472, compound

Sources & evidence

ORD record
ord-b55390158ca14cb6b63ba2458cd54041
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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