Acetate → 2-[6-(3-Methoxyphenyl)-4-(3-pyridylamino)pyrimidin-2-yl]-1-morpholin-4-ylethan-1-one

HRID 173202Notes

Reaction equation

HRID 173202 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[Cs+:5].[Cs+:6].[F:7][C:8]([S:9]([O:10][c:15]1[n:16][c:17]([CH2:29][C:30](=[O:31])[N:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[n:18][c:19](-[c:21]2[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][cH:26]2)[cH:20]1)(=[O:11])=[O:12])([F:13])[F:14].[NH2:38][c:39]1[cH:40][n:41][cH:42][cH:43][cH:44]1.[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[Pd+2:50]>>[c:15]1([NH:38][c:39]2[cH:40][n:41][cH:42][cH:43][cH:44]2)[n:16][c:17]([CH2:29][C:30](=[O:31])[N:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[n:18][c:19](-[c:21]2[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][cH:26]2)[cH:20]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 8028TetrahydrofuranHCID 100093-AminopyridineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 597897656-(3-Methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-yl (trifluoromethyl)sulfonate

Product 1

HCID 597896702-[6-(3-Methoxyphenyl)-4-(3-pyridylamino)pyrimidin-2-yl]-1-morpholin-4-ylethan-1-one

Sources & evidence

ORD record
ord-11e121cc013642089b559341f78d93d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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