N,N-Dimethylglycine → HCID 178518748, compound

HRID 167657Notes

Reaction equation

HRID 167657 reaction equation
[CH3:29][N:30]([CH2:31][C:32](=[O:33])[OH:34])[CH3:35].[CH3:51][S:52](=[O:53])[CH3:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cu:61][I:62].[F:42][C:43]([c:44]1[n:45][nH:46][cH:47][cH:48]1)([F:49])[F:50].[I:1][c:2]1[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1.[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41]>>[c:2]1(-[n:46]2[n:45][c:44]([C:43]([F:42])([F:49])[F:50])[cH:48][cH:47]2)[c:3](=[O:28])[nH:4][c:5](=[O:27])[n:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][C:13]3([c:17]4[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]4)[CH2:14][CH:15]3[CH2:16]2)[cH:7]1

Participants

9

Reactant 8

HCID 673N,N-DimethylglycineHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 18070343-(Trifluoromethyl)pyrazoleHCID 71018565HCID 71018565, compound

Product 1

HCID 178518748HCID 178518748, compound

Sources & evidence

ORD record
ord-279e9682d7754a1b966794848104dc40
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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