Acetone → HCID 54435499, compound

HRID 153501Notes

Reaction equation

HRID 153501 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:2][O:3][C:4](=[O:5])[CH2:6][N:7]([c:8]1[cH:9][c:10]2[c:11]([n:12]([CH3:25])[c:13]([CH2:15][c:16]3[cH:17][cH:18][c:19]([C:20](=[NH:21])[NH2:22])[cH:23][cH:24]3)[n:14]2)[cH:26][cH:27]1)[S:28](=[O:29])(=[O:30])[c:31]1[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][n:39][c:40]12.[CH3:47][C:48](=[O:49])[CH3:50].[CH3:51][O:52][C:53](=[O:54])[Cl:55].[ClH:1].[K+:45].[K+:46].[OH2:56]>>[CH3:2][O:3][C:4](=[O:5])[CH2:6][N:7]([c:8]1[cH:9][c:10]2[c:11]([n:12]([CH3:25])[c:13]([CH2:15][c:16]3[cH:17][cH:18][c:19]([C:20](=[N:21][C:53]([O:52][CH3:51])=[O:54])[NH2:22])[cH:23][cH:24]3)[n:14]2)[cH:26][cH:27]1)[S:28](=[O:29])(=[O:30])[c:31]1[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][n:39][c:40]12

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6586Methyl chloroformateHCID 19660Carbonate IonHCID 23302505HCID 23302505, compound

Product 1

HCID 54435499HCID 54435499, compound

Sources & evidence

ORD record
ord-acfb192a8a2f462bb745cf808d0cc62c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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