Acetic Acid → HCID 54044520, compound

HRID 2140615Notes

Reaction equation

HRID 2140615 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:42][C:43](=[O:44])[OH:45].[Cl-:30].[F:31][c:32]1[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[OH:41])[cH:36][cH:37]1.[K+:28].[K+:29].[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:10](=[CH:11][CH2:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[c:18]2[cH:19][n:20][cH:21][cH:22][cH:23]2)[cH:8][cH:9]1.[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:10](=[CH:11][CH2:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[c:18]2[cH:19][n:20][cH:21][cH:22][cH:23]2)[cH:8][cH:9]1)[S:38]([c:35]1[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]1)(=[O:39])=[O:40]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 312ChlorideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 468864-Fluorobenzenesulfonic acidHCID 54450301HCID 54450301, compound

Product 1

HCID 54044520HCID 54044520, compound

Sources & evidence

ORD record
ord-fef34b04f4ba45a79ce8ba742f913ab9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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