Ethanol → HCID 13478030, compound
Reaction equation
[CH3:27][CH2:28][OH:29].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[cH:10][cH:11]1.[N-:23]=[N+:24]=[N-:25].[Na+:22].[OH2:26]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[cH:10][cH:11]1)[N:23]=[N+:24]=[N-:25]Participants
6
Sources & evidence
- ORD record
- ord-88a5d3779f9e4078bd59f8af7106bf87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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