Dimethylformamide → 9-[4,4-Bis(4-fluorophenyl)butyl]-1-methyl-7,8,9,10-tetrahydrothieno[3,2-e]pyrido[4,3-b]indole
Reaction equation
[CH3:18][N:19]([CH3:20])[P:21](=[O:22])([N:23]([CH3:24])[CH3:25])[N:26]([CH3:27])[CH3:28].[CH3:1][c:2]1[cH:3][s:4][c:5]2[c:6]1[c:7]1[c:8]3[c:9]([nH:10][c:11]1[cH:12][cH:13]2)[CH2:14][CH2:15][NH:16][CH2:17]3.[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[F:29][c:30]1[cH:31][cH:32][c:33]([CH:36]([CH2:37][CH2:38][CH2:39][I:40])[c:41]2[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]2)[cH:34][cH:35]1>>[CH3:1][c:2]1[cH:3][s:4][c:5]2[c:6]1[c:7]1[c:8]3[c:9]([nH:10][c:11]1[cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([CH2:39][CH2:38][CH2:37][CH:36]([c:33]1[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]1)[c:41]1[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]1)[CH2:17]3Participants
5
Sources & evidence
- ORD record
- ord-23ecb0e5641f44e2af2643de6097a5e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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