Ammonium → 2-(1-benzyl-3-chloro-2-methyl-1H-indol-5-yl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:27])[cH:10][c:11]2[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[OH:26])[cH:14][cH:15][c:16]12.[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[CH3:43][C:44]#[N:45].[Cl-:36].[Cl:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[NH4+:37]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:27])[c:10]([Cl:28])[c:11]2[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[OH:26])[cH:14][cH:15][c:16]12참가 물질
7
출처 및 근거
- ORD 기록
- ord-df097ee4f8ea45f5b6835ef2d63a152a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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