4-[4-(3-Tert-butyl-phenylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester → N-(3-tert-Butyl-phenyl)-4-piperazin-1-yl-benzamide
반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:25][cH:26][cH:27]3)=[O:32])[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:33]([c:34]1[cH:35][cH:36][c:37]([NH:38][C:39](=[O:40])[c:41]2[cH:42][cH:43][c:44]([N:45]3[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]3)[n:51][cH:52]2)[cH:53][cH:54]1)([CH3:55])([CH3:56])[CH3:57]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:25][cH:26][cH:27]3)=[O:32])[cH:18][cH:19]2)[CH2:12][CH2:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-787da3fb7e6d435b9fa24dfb6dd469f1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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