Acetate → [1-Cyclobutyl-2-(4,4-difluoro-piperidine-1-carbonyl)-1H-indol-5-yl]-(4-isopropyl-piperazin-1-yl)-methanone
Reaction equation
[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH:31]1([B:35]([OH:36])[OH:37])[CH2:32][CH2:33][CH2:34]1.[CH:44]([Cl:45])([Cl:46])[Cl:47].[Cu+2:52].[F:1][C:2]1([F:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([C:19](=[O:20])[N:21]4[CH2:22][CH2:23][N:24]([CH:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1.[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[F:1][C:2]1([F:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11]([CH:31]3[CH2:32][CH2:33][CH2:34]3)[c:12]3[cH:13][cH:14][c:15]([C:19](=[O:20])[N:21]4[CH2:22][CH2:23][N:24]([CH:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1Participants
7
Sources & evidence
- ORD record
- ord-cdfede044d954801b7a2017bb0c89631
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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