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

HRID 819141Notes

Reaction equation

HRID 819141 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:24](=[O:25])([O-:26])[O-:27].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][C:51]#[N:52].[Cl:30][c:31]1[cH:32][c:33]([C:34](=[O:35])[NH:36][CH3:37])[cH:38][cH:39][c:40]1[NH:41][CH3:42].[K+:28].[K+:29].[OH2:53].[S:20]([Cl:21])([Cl:22])=[O:23]>>[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:41]([c:40]3[c:31]([Cl:30])[cH:32][c:33]([C:34](=[O:35])[NH:36][CH3:37])[cH:38][cH:39]3)[CH3:42])[cH:11][c:12]1[CH2:13][CH2:14][O:15]2

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 568341569-Cyano-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acidHCID 579002073-chloro-N-methyl-4-methylamino-benzamide

Product 1

HCID 57900333N-(2-chloro-4-(methylcarbamoyl)phenyl)-9-cyano-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Sources & evidence

ORD record
ord-3c4186ead97f47b1b846e7e06ea2307e
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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