Acetone → HCID 86760491, compound

HRID 2153309Notes

Reaction equation

HRID 2153309 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:43][C:44](=[O:45])[CH3:46].[Cl:31][C:32](=[O:33])[O:34][CH3:35].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[NH2:30])[cH:25][cH:26]2)[cH:5][cH:6][cH:7]1.[K+:40].[K+:41].[OH2:42]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[NH:30][C:32](=[O:33])[O:34][CH3:35])[cH:25][cH:26]2)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 6586Methyl chloroformateHCID 19660Carbonate IonHCID 9845828HCID 9845828, compound

Product 1

HCID 86760491HCID 86760491, compound

Sources & evidence

ORD record
ord-5ea0b48d77ed41b9998c5bee8c81f887
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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