4-Bromobenzoic acid → 4-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-chloro-phenyl]-piperazin-1-yl}-benzoic acid
반응식
[Br:27][c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12]([c:13]2[cH:14][c:15]([Cl:25])[c:16]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:17][cH:18]2)=[O:26])[cH:8][cH:9][cH:10]1.[C:37]([c:38]1[cH:39][c:40]([NH:41][C:42]([c:43]2[cH:44][cH:45][c:46]([N:47]3[CH2:48][CH2:49][N:50]([c:51]4[cH:52][cH:53][c:54]([C:55]([OH:56])=[O:57])[cH:58][cH:59]4)[CH2:60][CH2:61]3)[c:62]([F:63])[cH:64]2)=[O:65])[cH:66][cH:67][cH:68]1)([CH3:69])([CH3:70])[CH3:71]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:11][C:12]([c:13]2[cH:14][c:15]([Cl:25])[c:16]([N:19]3[CH2:20][CH2:21][N:22]([c:28]4[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]4)[CH2:23][CH2:24]3)[cH:17][cH:18]2)=[O:26])[cH:8][cH:9][cH:10]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-290d953e70704e698c758bd0867248b6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)