Dimethylformamide → N-[5-[2-[6-[4-(3-cyclopentylsulfonylphenyl)butoxy]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

HRID 286449Notes

Reaction equation

HRID 286449 reaction equation
[Br:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH2:28][c:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:32][cH:33][cH:34]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[NH2:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[NH:1]([CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:16])[c:9]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[cH:10]1)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH2:28][c:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:32][cH:33][cH:34]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 9837752N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamideHCID 691198271-{4-[(6-Bromohexyl)oxy]butyl}-3-(cyclopentylsulfonyl)benzene

Product 1

HCID 77606596N-[5-[2-[6-[4-(3-cyclopentylsulfonylphenyl)butoxy]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide

Sources & evidence

ORD record
ord-15f85d5b3c8649b3bb1ec01aed343319
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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