4-Chlorophenol → 3-(4-Chloro-phenoxymethyl)-1-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-1H-pyrrole

HRID 286161Notes

Reaction equation

HRID 286161 reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:25])[c:10]([CH2:23][OH:24])[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[OH:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9]([CH3:25])[c:10]([CH2:23][O:24][c:27]3[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 46844-ChlorophenolHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 105463821-(4-Fluorophenyl)-4-hydroxymethyl-5-methyl-2-(4-methylsulfonylphenyl)pyrrole

Product 1

HCID 105045373-(4-Chloro-phenoxymethyl)-1-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-1H-pyrrole

Sources & evidence

ORD record
ord-1a7e8056242a48e38961b79c798e82e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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