Lerisetron → 9-{4-[4-(1-benzyl-1H-benzimidazol-2-yl)-piperazin-1-yl]-butyl}-9H-fluorene-9-carboxylic Acid-(2.2,2-trifluoro-ethyl)-amide
Reaction equation
[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[c:35]([N:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[n:36][c:37]2[c:38]1[cH:39][cH:40][cH:41][cH:42]2.[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:20][CH2:21][CH2:22][CH2:23][Br:24])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2-[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]21)([F:25])[F:26]>>[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:20][CH2:21][CH2:22][CH2:23][N:46]2[CH2:45][CH2:44][N:43]([c:35]3[n:34]([CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:38]4[c:37]([n:36]3)[cH:42][cH:41][cH:40][cH:39]4)[CH2:48][CH2:47]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2-[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]21)([F:25])[F:26]Participants
3
Sources & evidence
- ORD record
- ord-3cf2b704be8d4100bdc68625772b1814
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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