Sodium ion → Ethyl 1-(6-{2-[(2,4-dimethylbenzyl)oxy]-3-methylphenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

HRID 283665Notes

Reaction equation

HRID 283665 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7](-[c:13]3[cH:14][cH:15][cH:16][c:17](-[n:19]4[n:20][cH:21][c:22]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:23]4[C:24]([F:25])([F:26])[F:27])[n:18]3)[cH:8][cH:9][cH:10][c:11]2[I:12])[cH:33][cH:34][c:35]([CH3:37])[cH:36]1.[CH3:38][B:39]1[O:40][B:41]([CH3:42])[O:43][B:44]([CH3:45])[O:46]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52]>>[CH3:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7](-[c:13]3[cH:14][cH:15][cH:16][c:17](-[n:19]4[n:20][cH:21][c:22]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:23]4[C:24]([F:25])([F:26])[F:27])[n:18]3)[cH:8][cH:9][cH:10][c:11]2[CH3:38])[cH:33][cH:34][c:35]([CH3:37])[cH:36]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 574072TrimethylboroxineHCID 67159279Ethyl 1-(6-{2-[(2,4-dimethylbenzyl)oxy]-3-iodophenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Product 1

HCID 67159648Ethyl 1-(6-{2-[(2,4-dimethylbenzyl)oxy]-3-methylphenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Sources & evidence

ORD record
ord-7aa9a6e6e1134f7596991e2245214ec2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…