1-[3-(3-Bromo-5-methoxy-9H-xanthen-9-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-2,2,2-trifluoro-ethanone → Trifluoroacetic acid
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:14]([cH:15]1)[O:13][c:12]1[c:7]([cH:8][cH:9][cH:10][c:11]1[O:16][CH3:17])[CH:6]2[CH:18]1[CH2:19][CH:20]2[CH2:21][CH2:22][CH:23]([CH2:24]1)[N:25]2[C:26]([C:27]([F:28])([F:29])[F:30])=[O:31].[F:32][C:33]([F:34])([F:36])[C:37](=[O:35])[N:38]1[CH:39]2[CH2:40][CH2:41][CH:42]1[CH2:43][CH:44]([CH:45]1[c:46]3[cH:47][cH:48][c:49](-[c:50]4[nH:51][n:52][n:53][n:54]4)[cH:55][c:56]3[O:57][c:58]3[c:59]1[cH:60][cH:61][cH:62][cH:63]3)[CH2:64]2>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:14]([cH:15]1)[O:13][c:12]1[c:7]([cH:8][cH:9][cH:10][c:11]1[O:16][CH3:17])[CH:6]2[CH:18]1[CH2:19][CH:20]2[CH2:21][CH2:22][CH:23]([CH2:24]1)[NH:25]2.[C:26]([C:27]([F:28])([F:29])[F:30])([OH:31])=[O:35]Participants
4
Sources & evidence
- ORD record
- ord-338f5fce18af466b8d106e15bf667219
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…