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Acetate → 4-[6-(2,6-Dimethyl-pyridin-3-ylamino)-5-methoxy-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester

HRID 121875
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HRID 121875 반응식
[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:23][c:24]1[n:25][c:26]([CH3:31])[cH:27][cH:28][c:29]1[NH2:30].[CH3:32][C:33]([O-:34])([CH3:35])[CH3:36].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:22])[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1.[Na+:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[Pd+2:48]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:30][c:29]3[c:24]([CH3:23])[n:25][c:26]([CH3:31])[cH:27][cH:28]3)[c:19]2[O:20][CH3:21])[CH2:11][CH2:12]1
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참가 물질

8

반응물 7

HCID 175Acetate2회HCID 923Sodium IonHCID 312751,4-DioxaneHCID 769642,6-Dimethyl-3-pyridylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 51050526
Isopropyl 4-[(6-chloro-5-methoxypyrimidin-4-yl)oxy]piperidine-1-carboxylate

생성물 1

HCID 115244944-[6-(2,6-Dimethyl-pyridin-3-ylamino)-5-methoxy-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester

출처 및 근거

ORD 기록
ord-db01c9438a0648a181949eb247e88f3b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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