Potassium Cation → {2-[3-(2-Fluoro-3-methoxy-phenyl)-5-(2-fluoro-6-trifluoromethyl-benzyl)-2,4,6-trioxo-[1,3,5]triazinan-1-yl]-1,1-dimethyl-ethyl}-carbamic acid tert-butyl ester

HRID 684657

Reaction equation

HRID 684657 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][n:10]1[c:11](=[O:27])[n:12](-[c:18]2[c:19]([F:26])[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]2)[c:13](=[O:17])[nH:14][c:15]1=[O:16])([CH3:28])[CH3:29])=[O:30].[F:37][c:38]1[c:39]([CH2:40][Br:41])[c:42]([C:46]([F:47])([F:48])[F:49])[cH:43][cH:44][cH:45]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][n:10]1[c:11](=[O:27])[n:12](-[c:18]2[c:19]([F:26])[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]2)[c:13](=[O:17])[n:14]([CH2:40][c:39]2[c:38]([F:37])[cH:45][cH:44][cH:43][c:42]2[C:46]([F:47])([F:48])[F:49])[c:15]1=[O:16])([CH3:28])[CH3:29])=[O:30]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27375732-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzeneHCID 69556374{2-[3-(2-Fluoro-3-methoxy-phenyl)-2,4,6-trioxo-[1,3,5]triazinan-1-yl]-1,1-dimethyl-ethyl}-carbamic acid tert-butyl ester

Product 1

HCID 69892014{2-[3-(2-Fluoro-3-methoxy-phenyl)-5-(2-fluoro-6-trifluoromethyl-benzyl)-2,4,6-trioxo-[1,3,5]triazinan-1-yl]-1,1-dimethyl-ethyl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-6f1a707608184c9fbaf59b470b169dcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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