Dichloromethane → Ethyl 2-[4-[2-[(3-bromo-5-chloro-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]-2-methylphenoxy]acetate

HRID 117462Notes

Reaction equation

HRID 117462 reaction equation
[Br:50][c:51]1[c:52]2[c:53]([s:54][c:55]1[S:56](=[O:57])(=[O:58])[Cl:59])[cH:60][cH:61][c:62]([Cl:64])[cH:63]2.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:27])[cH:9][c:10]([S:13][CH2:14][CH2:15][N:16]([CH2:17][CH2:18][CH3:19])[C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[cH:11][cH:12]1)=[O:28].[CH3:29][Si:30]([CH3:31])([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:65][CH2:66][Cl:67].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:27])[cH:9][c:10]([S:13][CH2:14][CH2:15][N:16]([CH2:17][CH2:18][CH3:19])[S:56]([c:55]2[c:51]([Br:50])[c:52]3[c:53]([s:54]2)[cH:60][cH:61][c:62]([Cl:64])[cH:63]3)(=[O:57])=[O:58])[cH:11][cH:12]1)=[O:28]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 262834DiethyldimethylsilaneHCID 587132023-Bromo-5-chloro-1-benzothiophene-2-sulfonyl chlorideHCID 58713262Ethyl 2-[2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethylsulfanyl]phenoxy]acetate

Product 1

HCID 58712987Ethyl 2-[4-[2-[(3-bromo-5-chloro-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]-2-methylphenoxy]acetate

Sources & evidence

ORD record
ord-c6f8f8be811b449f85298471bfcc56b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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