Methanol → (3,5-Bis-trifluoromethyl-benzyl)-[2-(cyclohexyl-methoxy-methyl)-5-trifluoromethyl-benzyl]-(2-methyl-2H-tetrazol-5-yl)-amine

반응식

[CH3:42][OH:43].[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]([CH:25]([OH: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]>>[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]([CH:25]([O:26][CH3:42])[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]

참가 물질

반응물 2

HCID 887Methanol

HCID 58968665(2-{[(3,5-Bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-cyclohexyl-methanol

생성물 1

HCID 58968680(3,5-Bis-trifluoromethyl-benzyl)-[2-(cyclohexyl-methoxy-methyl)-5-trifluoromethyl-benzyl]-(2-methyl-2H-tetrazol-5-yl)-amine

출처 및 근거

ORD 기록: ord-82e4aa96165d4644be28ea0848541987
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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