Methane → 1-[[5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]azetidin-3-ol

HRID 135301Notes

Reaction equation

HRID 135301 reaction equation
[C:72].[CH2:51]([N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])[CH3:61].[CH3:62][N:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[CH3:69][CH2:70][OH:71].[ClH:50].[F:21][c:22]1[c:23]([CH:29]([c:30]2[c:31]([CH3:39])[cH:32][c:33]([C:36](=[O:37])[OH:38])[n:34][cH:35]2)[S:40](=[O:41])(=[O:42])[c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:24][c:25]([F:28])[cH:26][cH:27]1.[H:19][H:20].[Pd:73].[c:1]1([CH:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:13]2)[N:8]2[CH2:9][CH:10]([OH:12])[CH2:11]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[N:8]1([C:36]([c:33]2[cH:32][c:31]([CH3:39])[c:30]([CH:29]([c:23]3[c:22]([F:21])[cH:27][cH:26][c:25]([F:28])[cH:24]3)[S:40](=[O:41])(=[O:42])[c:43]3[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]3)[cH:35][n:34]2)=[O:38])[CH2:9][CH:10]([OH:12])[CH2:11]1

Participants

10

Reactant 9

HCID 297MethaneHCID 313Hydrochloric AcidHCID 702EthanolHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 23938PalladiumHCID 3304481-(Diphenylmethyl)azetidin-3-olHCID 577364395-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxylic acidHCID 178418361HCID 178418361, compound

Product 1

HCID 577364871-[[5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]azetidin-3-ol

Sources & evidence

ORD record
ord-557144f59b8643918ba356e37f9c2ed6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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