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Methane → 2-{[(3,5-Bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenol

HRID 677650
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HRID 677650 반응식
[C:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:17][n:18]2)[CH2:25][c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]1.[CH3:48][CH2:49][OH:50].[Pd:52]>>[OH:8][c:9]1[c:10]([CH2:11][N:12]([c:13]2[n:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:17][n:18]2)[CH2:25][c:26]2[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]2)[cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]1
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참가 물질

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반응물 4

HCID 297MethaneHCID 702EthanolHCID 23938PalladiumHCID 86626833(2-Benzyloxy-5-trifluoromethyl-benzyl)-(3,5-bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amine

생성물 1

HCID 866268342-{[(3,5-Bis-trifluoromethyl-benzyl)-(5-morpholin-4-yl-pyrimidin-2-yl)-amino]-methyl}-4-trifluoromethyl-phenol

출처 및 근거

ORD 기록
ord-075bbf3df57e454fac27407d4afff354
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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