Acetonitrile → HCID 16744927, compound
Reaction equation
[Br:23][CH:24]([c:25]1[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]1.[CH3:49][C:50]#[N:51].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH:1]1[CH2:2][CH:3]([CH:5]([C:6]([CH3:7])([CH3:8])[F:9])[c:10]2[cH:11][c:12](-[c:17]3[n:18][n:19][n:20]([CH3:22])[n:21]3)[cH:13][c:14]([F:16])[cH:15]2)[CH2:4]1>>[N:1]1([CH:24]([c:25]2[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]2)[CH2:2][CH:3]([CH:5]([C:6]([CH3:7])([CH3:8])[F:9])[c:10]2[cH:11][c:12](-[c:17]3[n:18][n:19][n:20]([CH3:22])[n:21]3)[cH:13][c:14]([F:16])[cH:15]2)[CH2:4]1Participants
5
Sources & evidence
- ORD record
- ord-060742b720b84c388b93e663688e6194
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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