Benzene → HCID 57428852, compound
Reaction equation
[C:1]([S:3][c:4]1[cH:5][cH:6][c:7]([F:10])[cH:8][cH:9]1)([S:11][c:2]1[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]1)=[S:18].[F:21][c:22]1[cH:23][cH:24][c:25]([C:28]([CH2:29][C:30]#[N:31])=[O:32])[cH:26][cH:27]1.[H-:19].[Na+:20].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[C:1]([S:3][c:4]1[cH:5][cH:6][c:7]([F:10])[cH:8][cH:9]1)(=[S:11])[CH:29]([C:28]([c:25]1[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]1)=[O:32])[C:30]#[N:31]Participants
7
Sources & evidence
- ORD record
- ord-17eb47bf41374c5e84e00fdaad6d3ff3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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