Acetate → 6-Chloro-N-methyl-4-(2-methylphenyl)pyridin-3-amine

HRID 700329Notes

Reaction equation

HRID 700329 reaction equation
[B:11]([OH:12])([OH:13])[OH:14].[C:22](=[O:23])([O-:24])[O-:25].[CH3:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:1][c:2]1[cH:3][c:4]([I:10])[c:5]([NH:8][CH3:9])[cH:6][n:7]1.[Na+:26].[Na+:27].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[OH2:54].[Pd+2:55].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:17]2[c:16]([CH3:15])[cH:21][cH:20][cH:19][cH:18]2)[c:5]([NH:8][CH3:9])[cH:6][n:7]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 1140Toluene2×HCID 7628Boric AcidHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 574434006-chloro-4-iodo-N-methylpyridin-3-amine

Product 1

HCID 577104436-Chloro-N-methyl-4-(2-methylphenyl)pyridin-3-amine

Sources & evidence

ORD record
ord-fffe382a90c24dd7ab61be3311753889
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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