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Bromide ion → 1-(2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)-1-cyclohexylethanol

HRID 681815
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HRID 681815 반응식
[Br-:42].[CH3:43][Mg+:44].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([C:25](=[O:26])[CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([C:25]([OH:26])([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[CH3:43])[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41]
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반응물 4

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 58968633(2-{[(3,5-bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-cyclohexyl-methanoneHCID 178477777HCID 178477777, 화합물

생성물 1

HCID 589686081-(2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)-1-cyclohexylethanol

출처 및 근거

ORD 기록
ord-360c415bccb8463da476dd640aeb72b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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