Acetonitrile → HCID 69471232, compound
Reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH2:26]([CH3:27])[O:28][C:29]([CH2:30][O:31][c:32]1[c:33]([CH3:39])[cH:34][c:35]([SH:38])[cH:36][cH:37]1)=[O:40].[CH3:47][C:48]#[N:49].[Cl:1][CH2:2][c:3]1[c:4]([CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[s:7]1.[Cs+:45].[Cs+:46]>>[CH2:2]([c:3]1[c:4]([CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[s:7]1)[S:38][c:35]1[cH:34][c:33]([CH3:39])[c:32]([O:31][CH2:30][C:29]([O:28][CH2:26][CH3:27])=[O:40])[cH:37][cH:36]1Participants
6
Sources & evidence
- ORD record
- ord-3234f774b88b4cc8b07bc304594b20d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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