Acetone → HCID 12282017, compound

HRID 1202792Notes

Reaction equation

HRID 1202792 reaction equation
[C:26]12([N:36]=[C:37]=[O:38])[CH2:27][CH:28]3[CH2:29][CH:30]([CH2:31][CH:32]([CH2:33]1)[CH2:34]3)[CH2:35]2.[C:39](=[O:40])([O-:41])[O-:42].[CH3:1][n:2]1[c:3](=[O:25])[n:4]([CH3:24])[c:5](=[O:23])[c:6]([C:8](=[O:9])[NH:10][CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[NH2:22])[CH2:17][CH2:18]2)[cH:7]1.[CH3:45][C:46](=[O:47])[CH3:48].[K+:43].[K+:44]>>[CH3:1][n:2]1[c:3](=[O:25])[n:4]([CH3:24])[c:5](=[O:23])[c:6]([C:8](=[O:9])[NH:10][CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[NH:22][C:37]([NH:36][C:26]34[CH2:27][CH:28]5[CH2:29][CH:30]([CH2:31][CH:32]([CH2:33]3)[CH2:34]5)[CH2:35]4)=[O:38])[CH2:17][CH2:18]2)[cH:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 20599951-IsocyanatoadamantaneHCID 12282041HCID 12282041, compound

Product 1

HCID 12282017HCID 12282017, compound

Sources & evidence

ORD record
ord-9c6b20452a7a4bd9bd7b78b395d51d06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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