(3,4-Difluorophenyl)(phenyl)methanol → 1-Azabicyclo[2.2.2]octan-3-yl [(3,4-difluorophenyl)-phenylmethyl] carbonate

반응식

[F:17][c:18]1[cH:19][c:20]([CH:25]([OH:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:21][cH:22][c:23]1[F:24].[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:26][CH:25]([c:20]3[cH:19][c:18]([F:17])[c:23]([F:24])[cH:22][cH:21]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

참가 물질

반응물 2

HCID 2758251(3,4-Difluorophenyl)(phenyl)methanol

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

생성물 1

HCID 591871681-Azabicyclo[2.2.2]octan-3-yl [(3,4-difluorophenyl)-phenylmethyl] carbonate

출처 및 근거

ORD 기록: ord-96b1480304034beb893e3bc5a7871a53
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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