2-benzyl-7-piperazinyl-2H-phthalazin-1-one → 2-Benzyl-7-[4-[3-[9-(2,2,2-trifluoroethylcarbamoyl)-9H-xanthen-9-yl]propyl]-piperazin-1-yl]-2H-phthalazin-1-one
Reaction equation
[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[c:35](=[O:50])[c:36]2[cH:37][c:38]([N:44]3[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]3)[cH:39][cH:40][c:41]2[cH:42][n:43]1.[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][Br:24])[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:25])[F:26]>>[F:1][C:2]([CH2:3][NH:4][C:5](=[O:6])[C:7]1([CH2:21][CH2:22][CH2:23][N:47]2[CH2:46][CH2:45][N:44]([c:38]3[cH:37][c:36]4[c:35](=[O:50])[n:34]([CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[n:43][cH:42][c:41]4[cH:40][cH:39]3)[CH2:49][CH2:48]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:25])[F:26]Participants
3
Sources & evidence
- ORD record
- ord-36ca465fb08b46c8a883d1203eefe94c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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