Hexafluorophosphate → N-(1,1-dimethylethyl)-2,4-difluoro-5-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]benzenesulfonamide

HRID 305519Notes

Reaction equation

HRID 305519 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10]([F:19])[cH:11][c:12]([F:18])[c:13]([C:14](=[O:15])[OH:16])[cH:17]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:53][c:54]1[c:55]([C:56](=[O:57])[N:62]2[CH2:63][CH2:64][C:65]([CH2:68][CH2:69][N:70]3[CH:71]4[CH2:72][CH:73]([n:78]5[c:79]([CH3:87])[n:80][c:81]6[c:82]5[cH:83][cH:84][cH:85][cH:86]6)[CH2:74][CH:75]3[CH2:76][CH2:77]4)([c:88]3[cH:89][c:90]([F:94])[cH:91][cH:92][cH:93]3)[CH2:66][CH2:67]2)[c:58]([Cl:59])[cH:60][cH:61][c:95]1[S:96]([NH:97][CH3:98])(=[O:99])=[O:100].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[c:10]([F:19])[cH:11][c:12]([F:18])[c:13]([C:14](=[O:16])[N:62]2[CH2:63][CH2:64][C:65]([CH2:68][CH2:69][N:70]3[CH:71]4[CH2:72][CH:73]([n:78]5[c:79]([CH3:87])[n:80][c:81]6[c:82]5[cH:83][cH:84][cH:85][cH:86]6)[CH2:74][CH:75]3[CH2:76][CH2:77]4)([c:88]3[cH:89][c:90]([F:94])[cH:91][cH:92][cH:93]3)[CH2:66][CH2:67]2)[cH:17]1

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 167764165-{[(1,1-Dimethylethyl)amino]sulfonyl}-2,4-difluorobenzoic acidHCID 587277792,4-dichloro-3-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]-N-methylbenzenesulfonamide

Product 1

HCID 58727773N-(1,1-dimethylethyl)-2,4-difluoro-5-[(4-(3-fluorophenyl)-4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-1-piperidinyl)carbonyl]benzenesulfonamide

Sources & evidence

ORD record
ord-767589b6c29b41d3b855d401a50ff8ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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