Acetonitrile → HCID 69141086, compound
Reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:13]([CH3:14])[c:15]1[c:16]([CH2:30][CH2:31][O:32][S:33]([c:34]2[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]2)(=[O:41])=[O:42])[n:17][c:18](-[c:20]2[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)[s:19]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([OH:11])[cH:8][cH:9][cH:10]1)=[O:12].[CH3:49][C:50]#[N:51].[Cs+:47].[Cs+:48]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:31][CH2:30][c:16]2[c:15]([CH2:13][CH3:14])[s:19][c:18](-[c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[n:17]2)[cH:8][cH:9][cH:10]1)=[O:12]Participants
6
Sources & evidence
- ORD record
- ord-03eae790fd304860adfede51088f79d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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