(3-Chlorophenyl)(3-fluorophenyl)methanol → 1-Azabicyclo[2.2.2]octan-3-yl [(3-chlorophenyl)-(3-fluorophenyl)methyl] carbonate

반응식

[Cl:17][c:18]1[cH:19][c:20]([CH:24]([OH:25])[c:26]2[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]2)[cH:21][cH:22][cH:23]1.[N:1]12[CH2:2][CH:3]([O:9][C:10](=[O:11])[n:12]3[cH:13][cH:14][n:15][cH:16]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[N:1]12[CH2:2][CH:3]([O:9][C:10](=[O:11])[O:25][CH:24]([c:20]3[cH:19][c:18]([Cl:17])[cH:23][cH:22][cH:21]3)[c:26]3[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

참가 물질

반응물 2

HCID 2757532(3-Chlorophenyl)(3-fluorophenyl)methanol

HCID 59835690Imidazole-1-carboxylic acid 1-azabicyclo[2.2.2]oct-3-yl ester

생성물 1

HCID 591871841-Azabicyclo[2.2.2]octan-3-yl [(3-chlorophenyl)-(3-fluorophenyl)methyl] carbonate

출처 및 근거

ORD 기록: ord-252207dad22f44d2b8795a4b1ace28f0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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