{2-[(1-Cyclopropylmethyl-6-trifluoromethyl-1H-indole-3-carbonyl)-amino]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester → {2-[(1-Cyclopropylmethyl-6-trifluoromethyl-1H-indole-3-carbonyl)-amino]-thiazol-5-ylsulfanyl}-acetic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17]([CH2:28][CH:29]3[CH2:30][CH2:31]3)[c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][c:23]23)[s:11]1)=[O:32].[CH:33]1([CH2:34][n:35]2[c:36]3[c:37]([cH:38][cH:39][c:40]([F:41])[cH:42]3)[c:43]([C:44]([NH:45][c:46]3[s:47][cH:48][c:49]([S:50][CH2:51][C:52]([OH:53])=[O:54])[n:55]3)=[O:56])[cH:57]2)[CH2:58][CH2:59]1>>[O:3]=[C:4]([CH2:5][S:6][c:7]1[cH:8][n:9][c:10]([NH:12][C:13](=[O:14])[c:15]2[cH:16][n:17]([CH2:28][CH:29]3[CH2:30][CH2:31]3)[c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][c:23]23)[s:11]1)[OH:32]참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-6b47aa524906469eab1635dc900263da
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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