N,N-Dimethylglycine → {4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methanol

HRID 2321454Notes

Reaction equation

HRID 2321454 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:23][N:24]([CH2:25][C:26](=[O:27])[OH:28])[CH3:29].[CH3:36][S:37]([CH3:38])=[O:39].[Cu:40][I:41].[F:10][C:11]([c:12]1[n:13][nH:14][c:15]2[c:20]1[CH2:19][CH2:18][CH2:17][CH2:16]2)([F:21])[F:22].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][OH:7])[cH:8][cH:9]1.[K+:34].[K+:35]>>[c:2]1(-[n:14]2[n:13][c:12]([C:11]([F:10])([F:21])[F:22])[c:20]3[c:15]2[CH2:16][CH2:17][CH2:18][CH2:19]3)[cH:3][cH:4][c:5]([CH2:6][OH:7])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 290124-Iodobenzyl alcoholHCID 28028633-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

Product 1

HCID 24825810{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methanol

Sources & evidence

ORD record
ord-05a8cf368baa47ca9c3aef4d123ed3d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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