Acetate → 2-(2-Chloro-5-(trifluoromethyl)pyridin-4-ylamino)-6-methoxy-N-methylbenzamide

HRID 292023Notes

Reaction equation

HRID 292023 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[CH3:26][C:27]1([CH3:28])[c:29]2[cH:30][cH:31][cH:32][c:33]([P:34]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:47]2[O:48][c:49]2[c:50]1[cH:51][cH:52][cH:53][c:54]2[P:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([I:8])[cH:7]1.[Cs+:72].[Cs+:73].[NH2:13][c:14]1[c:15]([C:16](=[O:17])[NH:18][CH3:19])[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]1.[O-:81][C:82]([CH3:83])=[O:84].[O-:85][C:86]([CH3:87])=[O:88].[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[Pd+2:80]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([NH:13][c:14]2[c:15]([C:16](=[O:17])[NH:18][CH3:19])[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]2)[cH:7]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 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 27737912-Chloro-4-iodo-5-(trifluoromethyl)pyridineHCID 122648202-amino-6-methoxy-N-methylbenzamide

Product 1

HCID 866551442-(2-Chloro-5-(trifluoromethyl)pyridin-4-ylamino)-6-methoxy-N-methylbenzamide

Sources & evidence

ORD record
ord-9638442e2ec242dc9aeea7aba57208b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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