Calcium Cation → 3-Cyano-8-nitrodibenzo[b,f]thiepin-5,5-dioxide
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:20]1)[S:8][c:9]1[c:10]([cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1)[CH:11]=[CH:12]2.[CH:35]([Cl:36])([Cl:37])[Cl:38].[Ca+2:33].[Cl:21][c:22]1[cH:23][cH:24][cH:25][c:26]([C:27]([O:28][OH:29])=[O:30])[cH:31]1.[OH-:32].[OH-:34]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:20]1)[S:8](=[O:32])(=[O:34])[c:9]1[c:10]([cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1)[CH:11]=[CH:12]2Participants
6
Sources & evidence
- ORD record
- ord-69f4b52201ce4f41a1ae8e3832945c37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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