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

HRID 312928

Reaction equation

HRID 312928 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:20][CH3:21])[cH:7][c:8]([O:9][CH2:10][C:11]([O:13][C:12]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:18][cH:19]1.[C:29]([c:30]1[cH:31][cH:32][c:33]([O:34][CH2:35][C:36]([OH:37])=[O:38])[cH:39][c:40]1[O:41][CH3:42])([CH3:43])([CH3:44])[CH3:45].[CH2:77]([Cl:78])[Cl:79].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cl-:46].[Cl:47][CH:48]1[N:49]([CH3:50])[CH2:51][CH2:52][NH+:53]1[CH3:54].[ClH:55].[NH2:56][CH2:57][c:58]1[cH:59][c:60]([F:69])[c:61]([NH:64][S:65](=[O:66])(=[O:67])[CH3:68])[cH:62][cH:63]1.[O:80]1[CH2:81][CH2:82][CH2:83][CH2:84]1.[OH:22][C:23]([C:24]([F:25])([F:26])[F:27])=[O:28]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:20][CH3:21])[cH:7][c:8]([O:9][CH2:10][C:11](=[O:13])[NH:56][CH2:57][c:58]2[cH:59][c:60]([F:69])[c:61]([NH:64][S:65](=[O:66])(=[O:67])[CH3:68])[cH:62][cH:63]2)[cH:18][cH:19]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 21097506HCID 21097506, compoundHCID 21097526N-(4-(aminomethyl)-2-fluorophenyl)methanesulfonamideHCID 575014672-Chloro-1,3-dimethylimidazolidin-1-iumHCID 58640411tert-Butyl (4-tert-butyl-3-methoxyphenoxy)acetate

Product 1

HCID 210974642-(4-tert-Butyl-3-methoxyphenoxy)-N-{3-fluoro-4-[(methylsulfonyl)amino]benzyl}acetamide

Sources & evidence

ORD record
ord-36e1e107a1bd4869926fcb908af09895
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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