4-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-xanthen-9-yl]butyl bromide → HCID 178429865, 화합물
반응식
[CH3:28][CH:29]1[CH2:30][N:31]([c:35]2[n:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[cH:43][cH:44]2)[CH2:32][CH2:33][NH:34]1.[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][CH2:24][Br:25])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)([F:26])[F:27]>>[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][CH2:24][N:34]2[CH:29]([CH3:28])[CH2:30][N:31]([c:35]3[n:36][c:37]4[cH:38][cH:39][cH:40][cH:41][c:42]4[cH:43][cH:44]3)[CH2:32][CH2:33]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)([F:26])[F:27]참가 물질
3
출처 및 근거
- ORD 기록
- ord-0e18e89ed0c14837938ee30d6ded5221
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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