1-(4-Tert-butylphenyl)-4-[4-(2,5-difluoro-4-methoxyphenyl)piperazin-1-yl]butan-1-one → 1-(4-Tert-butylphenyl)-4-[4-(2,5-difluoro-4-hydroxyphenyl)piperazin-1-yl]butan-1-one
반응식
[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([C:36]([CH2:37][CH2:38][CH2:39][N:40]2[CH2:41][CH2:42][N:43]([c:46]3[c:47]([F:55])[cH:48][c:49]([O:53][CH3:54])[c:50]([F:52])[cH:51]3)[CH2:44][CH2:45]2)=[O:56])[cH:34][cH:35]1.[CH:1]1([CH2:2][CH2:3][CH2:4][N:5]2[CH2:6][CH2:7][N:8]([c:9]3[cH:10][c:11]([F:12])[c:13]([O:14][CH3:15])[cH:16][c:17]3[F:18])[CH2:19][CH2:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1>>[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([C:36]([CH2:37][CH2:38][CH2:39][N:40]2[CH2:41][CH2:42][N:43]([c:46]3[c:47]([F:55])[cH:48][c:49]([OH:53])[c:50]([F:52])[cH:51]3)[CH2:44][CH2:45]2)=[O:56])[cH:34][cH:35]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a9fc70efb7674ee6bc3cea47ee7acec3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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