Acetate → 5-[5-(4-Methoxy-phenyl)-pyrimidin-2-ylamino]-2-methyl-nicotinic acid ethyl ester

HRID 167393Notes

Reaction equation

HRID 167393 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:12])[n:7][cH:8][c:9]([NH2:11])[cH:10]1)=[O:13].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[Cl:14][c:15]1[n:16][cH:17][c:18](-[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[cH:19][n:20]1.[Cs+:33].[Cs+:34].[O-:36][C:37]([CH3:38])=[O:39].[O-:40][C:41]([CH3:42])=[O:43].[Pd+2:35]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:12])[n:7][cH:8][c:9]([NH:11][c:15]2[n:16][cH:17][c:18](-[c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[cH:19][n:20]2)[cH:10]1)=[O:13]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27610202-Chloro-5-(4-methoxyphenyl)pyrimidineHCID 22180329Ethyl 5-amino-2-methylnicotinate

Product 1

HCID 673656505-[5-(4-Methoxy-phenyl)-pyrimidin-2-ylamino]-2-methyl-nicotinic acid ethyl ester

Sources & evidence

ORD record
ord-6a651f0aeffe425c8338f7a3ac7e2bd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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