Benzene → HCID 23659147, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[S:4][c:5]1[n:6][n:7][c:8]([SH:10])[s:9]1.[Cl:13][c:14]1[c:15]([C:20]#[N:21])[n:16][cH:17][cH:18][n:19]1.[H-:12].[Na+:11].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[cH:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH2:1]([CH:2]=[CH2:3])[S:4][c:5]1[n:6][n:7][c:8]([S:10][c:14]2[c:15]([C:20]#[N:21])[n:16][cH:17][cH:18][n:19]2)[s:9]1Participants
7
Sources & evidence
- ORD record
- ord-13d86fa860854189a65ffc83be37a54e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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