Chloride → 2-[4-tert-Butyl-3-(cyclopropylmethoxy)phenoxy]-N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}acetamide

HRID 119744

Reaction equation

HRID 119744 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:16][CH2:17][CH:18]2[CH2:19][CH2:20]2)[cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl-:21].[Cl:22][CH:23]1[N:24]([CH3:25])[CH2:26][CH2:27][NH+:28]1[CH3:29].[ClH:30].[NH2:31][CH2:32][c:33]1[cH:34][c:35]([F:44])[c:36]([NH:39][S:40](=[O:41])(=[O:42])[CH3:43])[cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:16][CH2:17][CH:18]2[CH2:19][CH2:20]2)[cH:7][c:8]([O:9][CH2:10][C:11](=[O:13])[NH:31][CH2:32][c:33]2[cH:34][c:35]([F:44])[c:36]([NH:39][S:40](=[O:41])(=[O:42])[CH3:43])[cH:37][cH:38]2)[cH:14][cH:15]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 21097500[4-tert-Butyl-3-(cyclopropylmethoxy)phenoxy]acetic acidHCID 21097526N-(4-(aminomethyl)-2-fluorophenyl)methanesulfonamideHCID 575014672-Chloro-1,3-dimethylimidazolidin-1-ium

Product 1

HCID 210974612-[4-tert-Butyl-3-(cyclopropylmethoxy)phenoxy]-N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}acetamide

Sources & evidence

ORD record
ord-3a3ca1a288fa4e2ba711fdc3830df568
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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