Acetonitrile → 3-Methyl-1-[4-(pentafluoropropanoylamino)butan-1-yl]-1,4,7b-triazacyclopent[cd]inden-2-one
Reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:1][c:2]1[n:3][c:4]2[n:5]3[c:6]1[c:7](=[O:18])[n:8]([CH2:13][CH2:14][CH2:15][CH2:16][NH2:17])[c:9]3[cH:10][cH:11][cH:12]2.[CH3:36][C:37]#[N:38].[F:26][C:27]([C:28]([C:29](=[O:30])[OH:31])([F:32])[F:33])([F:34])[F:35]>>[CH3:1][c:2]1[n:3][c:4]2[n:5]3[c:6]1[c:7](=[O:18])[n:8]([CH2:13][CH2:14][CH2:15][CH2:16][NH:17][C:29]([C:28]([C:27]([F:26])([F:34])[F:35])([F:32])[F:33])=[O:30])[c:9]3[cH:10][cH:11][cH:12]2Participants
5
Sources & evidence
- ORD record
- ord-b370850ac00f47a79c10e728a9c3835e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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