Ethanol → (2'-{[Ethyl-(5-methyl-benzooxazol-2-yl)-amino]-methyl)-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:24][NH:25][CH2:26][CH3:27])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:28].[CH3:49][CH2:50][OH:51].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:29][c:30]1[o:31][c:32]2[c:33]([n:34]1)[cH:35][c:36]([CH3:39])[cH:37][cH:38]2>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:24][N:25]([CH2:26][CH3:27])[c:30]3[o:31][c:32]4[c:33]([n:34]3)[cH:35][c:36]([CH3:39])[cH:37][cH:38]4)[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:28]참가 물질
5
반응물 4
생성물 1
출처 및 근거
- ORD 기록
- ord-d8384232dbcd414398249ed8b8124213
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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