Hydroxide → N-[2-(4-chlorophenyl)ethyl]-4-[4-(2-methylsulfanyl-2-methylsulfinylethenyl)-2-(trifluoromethyl)phenoxy]benzamide

HRID 2133011Notes

Reaction equation

HRID 2133011 reaction equation
[CH2:39]([N+:40]([CH3:41])([CH3:42])[CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:32][S:33](=[O:34])[CH2:35][S:36][CH3:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([O:16][c:17]3[c:18]([C:25]([F:26])([F:27])[F:28])[cH:19][c:20]([CH:23]=[O:24])[cH:21][cH:22]3)[cH:14][cH:15]2)=[O:29])[cH:30][cH:31]1.[OH-:38]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([O:16][c:17]3[c:18]([C:25]([F:26])([F:27])[F:28])[cH:19][c:20]([CH:23]=[C:35]([S:33]([CH3:32])=[O:34])[S:36][CH3:37])[cH:21][cH:22]3)[cH:14][cH:15]2)=[O:29])[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 961HydroxideHCID 5964BenzyltrimethylammoniumHCID 8028TetrahydrofuranHCID 99129Methyl (methylsulfinyl)methyl sulfideHCID 86643290N-(4-chlorophenethyl)-4-(4-formyl-2-(trifluoromethyl)phenoxy)benzamide

Product 1

HCID 90980458N-[2-(4-chlorophenyl)ethyl]-4-[4-(2-methylsulfanyl-2-methylsulfinylethenyl)-2-(trifluoromethyl)phenoxy]benzamide

Sources & evidence

ORD record
ord-107189432f8f4a32949e11021ceb89ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…