Hexane → 5'-Chloro-3-methyl-2'-oxo-1',2,2',3,4,9-hexahydrospiro[beta-carboline-1,3'-indol]-6-carbonitrile
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]3[c:10]([nH:11][c:12]2[cH:13][cH:14]1)[C:9]1([NH:8][CH:7]([CH3:25])[CH2:6]3)[C:15](=[O:24])[NH:16][c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][c:22]21.[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[Cu:26][C:27]#[N:28]>>[c:2]1([C:27]#[N:28])[cH:3][c:4]2[c:5]3[c:10]([nH:11][c:12]2[cH:13][cH:14]1)[C:9]1([NH:8][CH:7]([CH3:25])[CH2:6]3)[C:15](=[O:24])[NH:16][c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][c:22]21Participants
6
Sources & evidence
- ORD record
- ord-9a0fe896d2794d479dec3e40e557d6be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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