1-Fluoro-2-nitrobenzene → 2-Fluorodibenzo[B,F][1,4]thiazepin-11(10H)-one

HRID 664493Notes

Reaction equation

HRID 664493 reaction equation
[N+:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[F:8])([O-:9])=[O:10].[NH2:11][C:12]1([S:13][c:14]2[cH:15][c:16]([F:17])[cH:18][cH:19][cH:20]2)[CH:21]=[CH:22][CH:23]=[CH:24][CH2:25]1.[c:26]1([O:32][C:33](=[O:27])[NH:34][c:35]2[c:36]([S:41][c:42]3[cH:43][cH:44][c:45]([F:48])[cH:46][cH:47]3)[cH:37][cH:38][cH:39][cH:40]2)[cH:28][cH:29][cH:30][cH:31][cH:49]1>>[O:32]=[C:33]1[NH:34][c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[S:41][c:42]2[cH:43][cH:44][c:45]([F:48])[cH:46][c:47]21

Participants

4

Reactant 3

HCID 738951-Fluoro-2-nitrobenzeneHCID 67079783[2-(4-Fluoro-phenylsulfanyl)-phenyl]-carbamic acid phenyl esterHCID 672567661-Amino-2-phenylsulfanyl-(4-fluorobenzene)

Product 1

HCID 580152692-Fluorodibenzo[B,F][1,4]thiazepin-11(10H)-one

Sources & evidence

ORD record
ord-f179cfc1cd384f7086fa9c373efaedda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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