Acetonitrile → HCID 67072418, compound
Reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[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].[CH3:45][C:46]#[N:47].[Cl:18][CH2:19][c:20]1[c:21]([CH:36]2[CH2:37][CH2:38]2)[n:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[cH:24][cH:25]1.[Cs+:43].[Cs+:44]>>[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]([CH:36]3[CH2:37][CH2:38]3)[n:22][c:23](-[c:26]3[cH:27][cH:28][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-aeb045da1bee41029621d3260dc533da
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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