Acetate → Isopropyl 4-(6-(6-bromo-2,4-dimethylpyridin-3-ylamino)-5-methoxypyrimidin-4-yloxy)piperidine-1-carboxylate

HRID 684148Notes

Reaction equation

HRID 684148 reaction equation
[Br:23][c:24]1[cH:25][c:26]([CH3:32])[c:27]([NH2:31])[c:28]([CH3:30])[n:29]1.[CH2:33]([N:34]1[CH2:35][CH2:36][N:37]2[CH2:38][CH2:39][N:40]([CH2:41][CH:42]([CH3:43])[CH3:44])[P:45]1[N:46]([CH2:47][CH:48]([CH3:49])[CH3:50])[CH2:51][CH2:52]2)[CH:53]([CH3:54])[CH3:55].[Cl:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:14]2)[n:5][cH:6][n:7]1.[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:56].[Pd+2:63]>>[c:2]1([NH:31][c:27]2[c:26]([CH3:32])[cH:25][c:24]([Br:23])[n:29][c:28]2[CH3:30])[c:3]([O:21][CH3:22])[c:4]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:14]2)[n:5][cH:6][n:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45712432,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecaneHCID 288753476-Bromo-2,4-dimethylpyridin-3-amineHCID 51050526Isopropyl 4-[(6-chloro-5-methoxypyrimidin-4-yl)oxy]piperidine-1-carboxylate

Product 1

HCID 58671560Isopropyl 4-(6-(6-bromo-2,4-dimethylpyridin-3-ylamino)-5-methoxypyrimidin-4-yloxy)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-a5ad374b29734ee98583944a4e7924e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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