Hydrochloric Acid → 3-bromo-5-(trifluoromethyl)-N-((1-(2-(trifluoromethylsulfonamido)ethyl)piperidin-4-yl)methyl)benzamide

HRID 173764Notes

Reaction equation

HRID 173764 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:68][CH2:69][Cl:70].[ClH:24].[ClH:25].[NH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][NH:36][S:37](=[O:38])(=[O:39])[C:40]([F:41])([F:42])[F:43])[CH2:32][CH2:33]1.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:26][CH2:27][CH:28]2[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][NH:36][S:37](=[O:38])(=[O:39])[C:40]([F:41])([F:42])[F:43])[CH2:32][CH2:33]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 110867883-Bromo-5-(trifluoromethyl)benzoic acidHCID 57993191N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide

Product 1

HCID 445398413-bromo-5-(trifluoromethyl)-N-((1-(2-(trifluoromethylsulfonamido)ethyl)piperidin-4-yl)methyl)benzamide

Sources & evidence

ORD record
ord-b547e1d7f0ac49ed98e33596c84163f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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