Acetate → 4-[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]-N-[3-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrimidin-2-amine

HRID 292949Notes

Reaction equation

HRID 292949 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7](-[c:9]2[cH:10][n:11][cH:12][s:13]2)[cH:8]1.[Cl:14][c:15]1[n:16][cH:17][cH:18][c:19](-[c:21]2[n:22][n:23][n:24]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[cH:25]2)[n:20]1.[Cs+:39].[Cs+:40].[O-:48][C:49]([CH3:50])=[O:51].[O-:52][C:53]([CH3:54])=[O:55].[Pd+2:47]>>[CH3:1][c:2]1[cH:3][c:4]([NH:5][c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[n:22][n:23][n:24]([CH2:26][c:27]4[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]4)[cH:25]3)[n:20]2)[cH:6][c:7](-[c:9]2[cH:10][n:11][cH:12][s:13]2)[cH:8]1

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 58456365HCID 58456365, compoundHCID 772310702-chloro-4-[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine

Product 1

HCID 584563154-[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]-N-[3-methyl-5-(1,3-thiazol-5-yl)phenyl]pyrimidin-2-amine

Sources & evidence

ORD record
ord-864ba594dbf746128fe36c8ebb85d01f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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