Hydrochloric Acid → N-[1-(2-carbamoylpiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

HRID 165737Notes

Reaction equation

HRID 165737 reaction equation
[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:11][c:12]1[cH:13][c:14]2[c:15]([cH:16][n:17]1)[nH:18][c:19]([C:21](=[O:22])[NH:23][CH:24]([C:25](=[O:26])[OH:27])[CH2:28][c:29]1[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]1)[cH:20]2.[ClH:1].[NH:2]1[CH:3]([C:8](=[O:9])[NH2:10])[CH2:4][CH2:5][CH2:6][CH2:7]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[N:2]1([C:25]([CH:24]([NH:23][C:21]([c:19]2[nH:18][c:15]3[c:14]([cH:13][c:12]([Cl:11])[n:17][cH:16]3)[cH:20]2)=[O:22])[CH2:28][c:29]2[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]2)=[O:26])[CH:3]([C:8](=[O:9])[NH2:10])[CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 140623Piperidine-2-carboxamideHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 725528572-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid

Product 1

HCID 178513641N-[1-(2-carbamoylpiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

Sources & evidence

ORD record
ord-7c830b74dd14488c979b6c5eecd4c457
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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