4-(4-{5-[(4-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-yl}-piperazin-1-yl)-2,2-dimethyl-4-oxo-butyric acid → 4-(4-{4-[(4-Ethoxy-1-ethyl-1H-indole-2-carbonyl)-amino]-phenyl}-piperazin-1-yl)-2,2-dimethyl-4-oxo-butyric acid
반응식
[Cl:1][c:2]1[c:3]2[cH:4][c:5]([C:6]([NH:7][c:8]3[cH:9][cH:10][c:11]([N:12]4[CH2:13][CH2:14][N:15]([C:26]([CH2:27][C:28]([C:29](=[O:30])[OH:31])([CH3:32])[CH3:33])=[O:34])[CH2:16][CH2:17]4)[n:18][cH:19]3)=[O:20])[s:21][c:22]2[cH:23][cH:24][cH:25]1.[NH:35]1[CH2:36][CH2:37][N:38]([c:41]2[cH:42][cH:43][c:44]([NH:47][C:48](=[O:49])[c:50]3[n:51]([CH2:62][CH3:63])[c:52]4[cH:53][cH:54][cH:55][c:56]([O:59][CH2:60][CH3:61])[c:57]4[cH:58]3)[cH:45][cH:46]2)[CH2:39][CH2:40]1>>[C:26]([CH2:27][C:28]([C:29](=[O:30])[OH:31])([CH3:32])[CH3:33])(=[O:34])[N:35]1[CH2:36][CH2:37][N:38]([c:41]2[cH:42][cH:43][c:44]([NH:47][C:48](=[O:49])[c:50]3[n:51]([CH2:62][CH3:63])[c:52]4[cH:53][cH:54][cH:55][c:56]([O:59][CH2:60][CH3:61])[c:57]4[cH:58]3)[cH:45][cH:46]2)[CH2:39][CH2:40]1참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-c17b8db843bf446e8d7c2be535ac8a13
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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