Hydrochloric Acid → 4-fluoro-7-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)carbonyl]-1,3-benzoxazol-2(3H)-one

HRID 201530Notes

Reaction equation

HRID 201530 reaction equation
[CH3:17][c:18]1[n:19][c:20]2[c:21]([n:22]1[CH:23]1[CH2:24][CH:25]3[CH2:26][CH2:27][CH:28]([CH2:29]1)[N:30]3[CH2:31][CH2:32][C:33]1([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1)[cH:45][cH:46][cH:47][cH:48]2.[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl:82][c:83]1[c:84]([C:85]([N:86]2[CH2:87][CH2:88][C:89]([c:90]3[cH:91][cH:92][cH:93][c:94]([F:95])[cH:96]3)([CH2:97][CH2:98][N:99]3[CH:100]4[CH2:101][CH2:102][CH:103]3[CH2:104][CH:105]([n:106]3[c:107]5[cH:108][cH:109][cH:110][cH:111][c:112]5[n:113][c:114]3[CH3:115])[CH2:116]4)[CH2:117][CH2:118]2)=[O:119])[c:120]([Cl:121])[cH:122][cH:123][c:124]1[S:125]([NH:126][CH3:127])(=[O:128])=[O:129].[ClH:15].[ClH:16].[F:1][c:2]1[cH:3][cH:4][c:5]([C:12](=[O:13])[OH:14])[c:6]2[c:7]1[nH:8][c:9](=[O:11])[o:10]2.[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[n:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:12](=[O:14])[N:36]2[CH2:35][CH2:34][C:33]([CH2:32][CH2:31][N:30]3[CH:25]4[CH2:24][CH:23]([n:22]5[c:18]([CH3:17])[n:19][c:20]6[c:21]5[cH:45][cH:46][cH:47][cH:48]6)[CH2:29][CH:28]3[CH2:27][CH2:26]4)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:38][CH2:37]2)[c:6]2[c:7]1[nH:8][c:9](=[O:11])[o:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 146906864-Fluoro-2-oxo-2,3-dihydro-1,3-benzoxazole-7-carboxylic 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-methylbenzenesulfonamideHCID 587278272-Methyl-1-{8-[2-(4-phenyl-4-piperidinyl)ethyl]-8-azabicyclo[3.2.1]oct-3-yl}-1H-benzimidazole

Product 1

HCID 587284034-fluoro-7-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenyl-1-piperidinyl)carbonyl]-1,3-benzoxazol-2(3H)-one

Sources & evidence

ORD record
ord-971f704f83654db484b9a0353c582a35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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