Potassium Cation → Tert-butyl 4-({2-(3-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-oxo-1,2-dihydroisoquinolin-4-yl}sulfanyl)piperidine-1-carboxylate

HRID 2349420Notes

Reaction equation

HRID 2349420 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([S:26][CH:27]3[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]3)[cH:6][n:7]([CH2:13][C:14]([CH2:15][O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:63](=[O:64])([O-:65])[O-:66].[CH:40]1([NH:43][C:44]([c:45]2[cH:46][c:47]([F:61])[c:48]([CH3:60])[c:49]([B:51]3[O:52][C:53]([CH3:54])([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59]3)[cH:50]2)=[O:62])[CH2:41][CH2:42]1.[K+:67].[K+:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73]>>[c:2]1(-[c:49]2[c:48]([CH3:60])[c:47]([F:61])[cH:46][c:45]([C:44]([NH:43][CH:40]3[CH2:41][CH2:42]3)=[O:62])[cH:50]2)[cH:3][c:4]2[c:5]([S:26][CH:27]3[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]3)[cH:6][n:7]([CH2:13][C:14]([CH2:15][O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 21914563N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 67390931Tert-butyl 4-{[6-bromo-2-(3-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]sulfanyl}piperidine-1-carboxylate

Product 1

HCID 67391538Tert-butyl 4-({2-(3-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-oxo-1,2-dihydroisoquinolin-4-yl}sulfanyl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-03ad409f5d24437b8558a3f31925a32c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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