{2-[(1-Cyclopropylmethyl-6-fluoro-1H-indole-3-carbonyl)-amino]-thiazol-4-ylsulfanyl}-acetic acid → 3-{2-[(1-Cyclopropylmethyl-6-fluoro-1H-indole-3-carbonyl)-amino]-thiazol-5-ylsulfanyl}-propionic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[c:16]2[cH:17][n:18]([CH2:26][CH:27]3[CH2:28][CH2:29]3)[c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][c:24]23)[s:12]1)=[O:30].[CH:31]1([CH2:32][n:33]2[c:34]3[c:35]([cH:36][cH:37][c:38]([F:39])[cH:40]3)[c:41]([C:42]([NH:43][c:44]3[s:45][cH:46][c:47]([S:48][CH2:49][C:50]([OH:51])=[O:52])[n:53]3)=[O:54])[cH:55]2)[CH2:56][CH2:57]1>>[O:3]=[C:4]([CH2:5][CH2:6][S:7][c:8]1[cH:9][n:10][c:11]([NH:13][C:14](=[O:15])[c:16]2[cH:17][n:18]([CH2:26][CH:27]3[CH2:28][CH2:29]3)[c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][c:24]23)[s:12]1)[OH:30]참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-5c1a552ef9fc4ee1927cf10a3e5f95b4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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