Acetonitrile → HCID 58707252, compound
Reaction equation
[CH3:44][C:45]#[N:46].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[c:8]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:9][cH:10][c:11]([F:13])[cH:12]2)[cH:18][c:19]([Cl:21])[cH:20]1.[N:22]1([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[c:8]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:9][cH:10][c:11]([N:25]3[CH2:24][CH2:23][N:22]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:27][CH2:26]3)[cH:12]2)[cH:18][c:19]([Cl:21])[cH:20]1Participants
5
Sources & evidence
- ORD record
- ord-4700558625d5471ca820430e7b5d49eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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