Potassium Cation → 3-[3-(1-Cyclohexylazetidin-3-ylamino)-4-trifluoromethoxyphenyl]-5,5-dimethyl-1-pyridin-4-ylmethyl-imidazolidine-2,4-dione

HRID 292836Notes

Reaction equation

HRID 292836 reaction equation
[C:29]([OH:30])(=[O:31])[C:32]([OH:33])=[O:34].[CH3:35][S:36]([O:37][CH:40]1[CH2:41][N:42]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:43]1)(=[O:38])=[O:39].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[K+:50].[K+:51].[NH2:1][c:2]1[cH:3][c:4]([N:13]2[C:14](=[O:28])[N:15]([CH2:21][c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[C:16]([CH3:19])([CH3:20])[C:17]2=[O:18])[cH:5][cH:6][c:7]1[O:8][C:9]([F:10])([F:11])[F:12].[O-:52][C:53]([O-:54])=[O:55]>>[NH:1]([c:2]1[cH:3][c:4]([N:13]2[C:14](=[O:28])[N:15]([CH2:21][c:22]3[cH:23][cH:24][n:25][cH:26][cH:27]3)[C:16]([CH3:19])([CH3:20])[C:17]2=[O:18])[cH:5][cH:6][c:7]1[O:8][C:9]([F:10])([F:11])[F:12])[CH:40]1[CH2:41][N:42]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:43]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 971Oxalic AcidHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 20377383(1-Cyclohexylazetidin-3-yl) methanesulfonateHCID 231103083-(3-Amino-4-trifluoromethoxyphenyl)5,5-dimethyl-1-pyridin-4-ylmethylimidazolidine-2,4-dione

Product 1

HCID 669158113-[3-(1-Cyclohexylazetidin-3-ylamino)-4-trifluoromethoxyphenyl]-5,5-dimethyl-1-pyridin-4-ylmethyl-imidazolidine-2,4-dione

Sources & evidence

ORD record
ord-8456b806e0c04f328ed74560ad672899
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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