Acetonitrile → HCID 67072404, compound
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([OH:15])[cH:13][cH:14]1)=[O:17].[CH3:44][C:45]#[N:46].[Cl:18][CH2:19][c:20]1[c:21]([CH3:37])[n:22][c:23](-[c:26]2[cH:27][c:28]([F:36])[c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[cH:24][cH:25]1.[Cs+:42].[Cs+:43]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([O:15][CH2:19][c:20]2[c:21]([CH3:37])[n:22][c:23](-[c:26]3[cH:27][c:28]([F:36])[c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]3)[cH:24][cH:25]2)[cH:13][cH:14]1)=[O:17]Participants
6
Sources & evidence
- ORD record
- ord-032cd919f08144bb86c0e46fa79fa5af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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