Acetonitrile → HCID 86620729, compound
Reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[CH3:48][C:49]#[N:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cs+:25].[Cs+:26].[F:1][C:2]([CH2:3][c:4]1[nH:5][c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1)([F:19])[F:20].[F:27][C:28]([c:29]1[cH:30][c:31](-[c:39]2[n:40][c:41]([CH2:44][Cl:45])[n:42][o:43]2)[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)([F:46])[F:47]>>[F:1][C:2]([CH2:3][c:4]1[n:5]([CH2:44][c:41]2[n:40][c:39](-[c:31]3[cH:30][c:29]([C:28]([F:27])([F:46])[F:47])[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32]3)[o:43][n:42]2)[c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1)([F:19])[F:20]Participants
7
Sources & evidence
- ORD record
- ord-9aaca65c33c34eabab8be1d8d412d899
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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