Acetate → 1,1-Dimethylethyl 4-(4-((5-chloro-4-((2-((1-methylethyl)sulfonyl)phenyl)amino)-2-pyrimidinyl)amino)-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate

HRID 157665Notes

Reaction equation

HRID 157665 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[c:15]([CH3:25])[cH:16][c:17]([NH2:24])[c:18]([O:20][CH:21]([CH3:22])[CH3:23])[cH:19]2)[CH2:12][CH2:13]1.[C:47](=[O:48])([O-:49])[O-:50].[C:58]([O-:59])(=[O:60])[CH3:61].[C:63]([O-:64])(=[O:65])[CH3:66].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[Cl:26][c:27]1[n:28][cH:29][c:30]([Cl:46])[c:31]([NH:33][c:34]2[c:35]([S:40](=[O:41])(=[O:42])[CH:43]([CH3:44])[CH3:45])[cH:36][cH:37][cH:38][cH:39]2)[n:32]1.[Cs+:51].[Cs+:52].[Pd+2:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[c:15]([CH3:25])[cH:16][c:17]([NH:24][c:27]3[n:28][cH:29][c:30]([Cl:46])[c:31]([NH:33][c:34]4[c:35]([S:40](=[O:41])(=[O:42])[CH:43]([CH3:44])[CH3:45])[cH:36][cH:37][cH:38][cH:39]4)[n:32]3)[c:18]([O:20][CH:21]([CH3:22])[CH3:23])[cH:19]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 597643782,5-dichloro-N-(2-((1-methylethyl)sulfonyl)phenyl)-4-pyrimidinamineHCID 597645801,1-Dimethylethyl 4-[4-amino-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate

Product 1

HCID 668769521,1-Dimethylethyl 4-(4-((5-chloro-4-((2-((1-methylethyl)sulfonyl)phenyl)amino)-2-pyrimidinyl)amino)-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-efea770f2cfe4ea6b7ff3d90c61b687d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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