Acetate → 2-[2-Chloro-5-(trifluoromethyl)pyridin-4-ylamino]-N-methylbenzamide

HRID 2122614Notes

Reaction equation

HRID 2122614 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:19][C:20]1([CH3:21])[c:22]2[cH:23][cH:24][cH:25][c:26]([P:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[c:40]2[O:41][c:42]2[c:43]1[cH:44][cH:45][cH:46][c:47]2[P:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:7][c:8]1[n:9][cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([I:14])[cH:13]1.[Cs+:5].[Cs+:6].[NH2:61][c:62]1[c:63]([C:64](=[O:65])[NH:66][CH3:67])[cH:68][cH:69][cH:70][cH:71]1.[O-:79][C:80]([CH3:81])=[O:82].[O-:83][C:84]([CH3:85])=[O:86].[O:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[Pd+2:78]>>[Cl:7][c:8]1[n:9][cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([NH:61][c:62]2[c:63]([C:64](=[O:65])[NH:66][CH3:67])[cH:68][cH:69][cH:70][cH:71]2)[cH:13]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 3080722-Amino-N-methylbenzamideHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 27737912-Chloro-4-iodo-5-(trifluoromethyl)pyridine

Product 1

HCID 566553282-[2-Chloro-5-(trifluoromethyl)pyridin-4-ylamino]-N-methylbenzamide

Sources & evidence

ORD record
ord-15a927767bee4b4ba0b80c409a14bd5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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