Acetic Acid → HCID 178497523, compound

HRID 1557732Notes

Reaction equation

HRID 1557732 reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[F:1][c:2]1[c:3]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3=[N:20][CH:19]([C:21](=[O:22])[O:23][CH3:24])[CH2:18][CH2:17]3)[n:14][cH:15]2)[cH:4][cH:5][cH:6][cH:7]1.[OH:29][C:30]([C:31]([F:32])([F:33])[F:34])=[O:35]>>[F:1][c:2]1[c:3]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][CH:19]([C:21](=[O:22])[O:23][CH3:24])[NH:20]3)[n:14][cH:15]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 72335492HCID 72335492, compound

Product 1

HCID 178497523HCID 178497523, compound

Sources & evidence

ORD record
ord-b75d951b7a4541bcb7c30d6fa041f545
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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