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

HRID 1566430Notes

Reaction equation

HRID 1566430 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH3:17])[cH:6][cH:7]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:31][N:32]([CH2:33][C:34](=[O:35])[OH:36])[CH3:37].[CH3:44][S:45]([CH3:46])=[O:47].[Cu:48][I:49].[F:18][C:19]([c:20]1[n:21][nH:22][c:23]2[c:28]1[CH2:27][CH2:26][CH2:25][CH2:24]2)([F:29])[F:30].[K+:42].[K+:43]>>[c:2]1(-[n:22]2[n:21][c:20]([C:19]([F:18])([F:29])[F:30])[c:28]3[c:23]2[CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:3][cH:4][c:5]([CH2:8][N:9]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH3:17])[cH:6][cH:7]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 28028633-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazoleHCID 57762825N-[(4-bromophenyl)methyl]-N-methyl-1-pyrrolidinecarboxamide

Product 1

HCID 57762823N-methyl-N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-1-pyrrolidinecarboxamide

Sources & evidence

ORD record
ord-5d9d70702da74b7aa612a9e88cd76df0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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