Potassium Cation → 9-cyano-N-(2,4-dichlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

HRID 2339238Notes

Reaction equation

HRID 2339238 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:19]1)-[c:8]1[s:9][c:10]([C:16](=[O:17])[OH:18])[cH:11][c:12]1[CH2:13][CH2:14][O:15]2.[C:36](=[O:37])([O-:38])[O-:39].[CH3:45][C:46]#[N:47].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:26][c:27]1[c:28]([NH:29][CH3:30])[cH:31][cH:32][c:33]([Cl:35])[cH:34]1.[Cl:42][CH2:43][Cl:44].[K+:40].[K+:41].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:19]1)-[c:8]1[s:9][c:10]([C:16](=[O:18])[N:29]([c:28]3[c:27]([Cl:26])[cH:34][c:33]([Cl:35])[cH:32][cH:31]3)[CH3:30])[cH:11][c:12]1[CH2:13][CH2:14][O:15]2

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 65578Oxalyl chlorideHCID 28009352,4-Dichloro-N-methylanilineHCID 568341569-Cyano-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acid

Product 1

HCID 579002529-cyano-N-(2,4-dichlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Sources & evidence

ORD record
ord-4a3fd87bb29a47dc8096a4974294497b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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