Hydrochloric Acid → 4-fluoro-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzenesulfonamide

HRID 320386Notes

Reaction equation

HRID 320386 reaction equation
[CH3:31][c:32]1[n:33][c:34]2[c:35]([n:36]1[CH:37]1[CH2:38][CH:39]3[CH2:40][CH2:41][CH:42]([CH2:43]1)[N:44]3[CH2:45][CH2:46][C:47]1([c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1)[cH:59][cH:60][cH:61][cH:62]2.[CH3:63][c:64]1[n:65]([CH:66]2[CH2:67][CH:68]3[N:69]([CH2:70][CH2:71][C:72]4([c:73]5[cH:74][cH:75][cH:76][cH:77][cH:78]5)[CH2:79][CH2:80][N:81]([C:82]([c:83]5[cH:84][cH:85][cH:86][cH:87][c:88]5[S:89]([NH:90][C:91](=[O:92])[O:93][C:94]([CH3:95])([CH3:96])[CH3:97])(=[O:98])=[O:99])=[O:100])[CH2:101][CH2:102]4)[CH:103]([CH2:104][CH2:105]3)[CH2:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][c:112]2[n:113]1.[ClH:29].[ClH:30].[NH2:15][S:16]([c:17]1[cH:18][cH:19][c:20]([C:21]([OH:22])=[O:23])[cH:24][c:25]1[F:26])(=[O:27])=[O:28].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([F:14])[cH:12][cH:13]1>>[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:7](=[O:9])[N:50]2[CH2:49][CH2:48][C:47]([CH2:46][CH2:45][N:44]3[CH:39]4[CH2:38][CH:37]([n:36]5[c:32]([CH3:31])[n:33][c:34]6[c:35]5[cH:59][cH:60][cH:61][cH:62]6)[CH2:43][CH:42]3[CH2:41][CH2:40]4)([c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[CH2:52][CH2:51]2)[cH:10][c:11]([F:14])[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 112529583-Fluoro-4-sulfamoylbenzoic acidHCID 587278272-Methyl-1-{8-[2-(4-phenyl-4-piperidinyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}-1H-benzimidazoleHCID 58728709tert-butyl {2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl piperidin-1-yl)carbonyl]phenyl}sulfonylcarbamateHCID 686771355-Fluoro-2-sulfamoylbenzoic acid

Product 1

HCID 587285764-fluoro-2-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzenesulfonamide

Sources & evidence

ORD record
ord-f196c4afe3004392838edcfdf6197cfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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