Benzene → N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-2H-1-benzopyran-4-carbothioamide
Reaction equation
[C:1](#[N:2])[CH2:3][CH2:4][NH:5][C:6](=[O:7])[C:8]1=[CH:9][C:10]([CH2:21][F:22])([CH2:23][F:24])[O:11][c:12]2[c:13]1[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2.[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([P:31]2(=[S:34])[S:32][P:33]([c:35]3[cH:36][cH:37][c:38]([O:39][CH3:40])[cH:41][cH:42]3)(=[S:43])[S:44]2)[cH:45][cH:46]1.[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1](#[N:2])[CH2:3][CH2:4][NH:5][C:6]([C:8]1=[CH:9][C:10]([CH2:21][F:22])([CH2:23][F:24])[O:11][c:12]2[c:13]1[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2)=[S:34]Participants
4
Sources & evidence
- ORD record
- ord-34cf606b6dd445a88034be0b79fc0a6c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)