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

HRID 2311962Notes

Reaction equation

HRID 2311962 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:35](=[O:36])([O-:37])[O-:38].[CH3:44][C:45]#[N:46].[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][cH:33][cH:34]1.[Cl:41][CH2:42][Cl:43].[K+:39].[K+:40].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[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][cH:33][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 136736Benzenamine, 2-chloro-N-methyl-HCID 568341569-Cyano-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acid

Product 1

HCID 44242168N-(2-chlorophenyl)-9-cyano-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Sources & evidence

ORD record
ord-c641845102ae41da9ac48fc11f3db5b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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