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Hydrochloric Acid → 5-[4-(1,3-Benzodioxol-5-yl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-2-chlorobenzenesulfonamide

HRID 90780
Notes
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Reaction equation

HRID 90780 reaction equation
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[Cl:45][c:46]1[c:47]([S:55]([NH2:56])(=[O:57])=[O:58])[cH:48][c:49]([C:50](=[O:51])[OH:52])[cH:53][cH:54]1.[ClH:1].[ClH:2].[O:3]1[CH2:4][O:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]1([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1)[cH:11]2.[OH2:88].[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[n:66]1([O:67][C:68]([N:69]([CH3:70])[CH3:71])=[N+:72]([CH3:73])[CH3:74])[c:75]2[n:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[O:3]1[CH2:4][O:5][c:6]2[c:7]1[cH:8][cH:9][c:10]([C:12]1([CH2:18][CH2:19][N:20]3[CH:21]4[CH2:22][CH:23]([n:28]5[c:29]([CH3:37])[n:30][c:31]6[c:32]5[cH:33][cH:34][cH:35][cH:36]6)[CH2:24][CH:25]3[CH2:26][CH2:27]4)[CH2:13][CH2:14][N:15]([C:50]([c:49]3[cH:48][c:47]([S:55]([NH2:56])(=[O:57])=[O:58])[c:46]([Cl:45])[cH:54][cH:53]3)=[O:51])[CH2:16][CH2:17]1)[cH:11]2
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 145684-Chloro-3-sulfamoylbenzoic acidHCID 4641409
(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 686770721-[8-[2-[4-(1,3-Benzodioxol-5-yl)piperidin-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylbenzimidazole

Product 1

HCID 724042055-[4-(1,3-Benzodioxol-5-yl)-4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-2-chlorobenzenesulfonamide

Sources & evidence

ORD record
ord-bc31d109e2b740abaa29d7f3cef203ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes