Acetate → 1-benzenesulfonyl-2-(2-cyclopentyl-1-{3-fluoro-4-[1-methyl-1-(tetrahydro-pyran-2-yloxy)-ethyl]-phenyl}-vinyl)-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

HRID 1538047Notes

Reaction equation

HRID 1538047 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:18])[c:5]([C:8]([CH3:9])([O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[CH3:17])[cH:6][cH:7]1.[CH3:20][C:21](=[O:22])[O-:23].[CH3:24][O:25][C:26](=[O:27])[c:28]1[cH:29][c:30]2[c:31]([n:32][cH:33]1)[n:34]([S:55](=[O:56])(=[O:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[c:35]([C:37](=[CH:38][CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1)[O:44][S:45]([c:46]1[cH:47][cH:48][c:49]([CH3:50])[cH:51][cH:52]1)(=[O:53])=[O:54])[cH:36]2.[CH3:70][S:71]([CH3:72])=[O:73].[K+:19].[Na+:64].[Na+:65].[O-:66][C:67](=[O:68])[O-:69]>>[c:2]1([C:37]([c:35]2[n:34]([S:55](=[O:56])(=[O:57])[c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[c:31]3[c:30]([cH:29][c:28]([C:26]([O:25][CH3:24])=[O:27])[cH:33][n:32]3)[cH:36]2)=[CH:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43]2)[cH:3][c:4]([F:18])[c:5]([C:8]([CH3:9])([O:10][CH:11]2[O:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[CH3:17])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 672276522-[1-(4-Bromo-2-fluoro-phenyl)-1-methyl-ethoxy]-tetrahydro-pyranHCID 866544971-benzenesulfonyl-2-[2-cyclopentyl-1-(toluene-4-sulfonyloxy)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

Product 1

HCID 672286871-benzenesulfonyl-2-(2-cyclopentyl-1-{3-fluoro-4-[1-methyl-1-(tetrahydro-pyran-2-yloxy)-ethyl]-phenyl}-vinyl)-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-5187dde05cf44369b7c9baf0fb6d3bfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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