Acetate → [2-(5-Chloro-2-fluoro-phenyl)-6,6-dimethyl-6,7-dihydro-5H-cyclopentapyrimidin-4-yl]-(3-methyl-pyridin-4-yl)-amine

HRID 1237520Notes

Reaction equation

HRID 1237520 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:21][c:22]1[cH:23][n:24][cH:25][cH:26][c:27]1[NH2:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:20])[c:6](-[c:8]2[n:9][c:10]3[c:11]([c:12]([I:14])[n:13]2)[CH2:15][C:16]([CH3:18])([CH3:19])[CH2:17]3)[cH:7]1.[Cs+:33].[Cs+:34].[O-:42][C:43]([CH3:44])=[O:45].[O-:46][C:47]([CH3:48])=[O:49].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Pd+2:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:20])[c:6](-[c:8]2[n:9][c:10]3[c:11]([c:12]([NH:28][c:27]4[c:22]([CH3:21])[cH:23][n:24][cH:25][cH:26]4)[n:13]2)[CH2:15][C:16]([CH3:18])([CH3:19])[CH2:17]3)[cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 748113-Methyl-4-pyridinamineHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 211043092-(5-Chloro-2-fluoro-phenyl)-4-iodo-6,6-dimethyl-6,7-dihydro-5H-cyclopentapyrimidine

Product 1

HCID 21104318[2-(5-Chloro-2-fluoro-phenyl)-6,6-dimethyl-6,7-dihydro-5H-cyclopentapyrimidin-4-yl]-(3-methyl-pyridin-4-yl)-amine

Sources & evidence

ORD record
ord-9989e797f5444b0495ed57469131fc83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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