Hydroxide → 5-Chloro-2-(1H-tetrazol-1-YL)benzonitrile
Reaction equation
[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:17][O:18][C:19]([NH:20][S:21]([NH3+:22])(=[O:23])=[O:24])=[O:25].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:11]2[n:12][n:13][n:14][cH:15]2)[c:6]([C:7](=[O:8])[NH2:9])[cH:10]1.[OH-:16].[OH2:26]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:11]2[n:12][n:13][n:14][cH:15]2)[c:6]([C:7]#[N:9])[cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-e34e7f2136ac4c238c8280ac87dbfdf7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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