HCID 11562429, 화합물 → 4-[[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenyl]methoxymethyl]benzoic Acid
반응식
[CH2:40]([n:41]1[c:42](-[c:43]2[cH:44][cH:45][c:46]([O:47][CH2:48][c:49]3[cH:50][cH:51][c:52]([C:53]([OH:54])=[O:55])[cH:56][cH:57]3)[cH:58][cH:59]2)[c:60]2[c:61]([c:62]([C:63]([F:64])([F:65])[F:66])[cH:67][cH:68][cH:69]2)[n:70]1)[c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][O:11][CH2:12][c:13]2[cH:14][c:15](-[c:19]3[n:20]([CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[n:21][c:22]4[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][c:27]34)[cH:16][cH:17][cH:18]2)[cH:8][cH:9]1)=[O:39]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][O:11][CH2:12][c:13]2[cH:14][c:15](-[c:19]3[n:20]([CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[n:21][c:22]4[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][c:27]34)[cH:16][cH:17][cH:18]2)[cH:8][cH:9]1)[OH:39]참가 물질
3
출처 및 근거
- ORD 기록
- ord-23a0c1806a0d4e13b96b2f8abc64777d
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
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