Hydrochloric Acid → 4-[4-[3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methylpyrazol-1-yl]-N,N-dimethylcyclohexane-1-carboxamide

HRID 1116626Notes

Reaction equation

HRID 1116626 reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[CH3:38][NH:39][CH3:40].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[OH:36])[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8].[Cl:72][CH2:73][Cl:74].[ClH:37].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:22]4[cH:23][n:24][n:25]([CH:28]5[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[N:39]([CH3:38])[CH3:40])[CH2:32][CH2:33]5)[c:26]4[CH3:27])[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 761672154-[4-[3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methylpyrazol-1-yl]cyclohexane-1-carboxylic acid

Product 1

HCID 761672164-[4-[3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methylpyrazol-1-yl]-N,N-dimethylcyclohexane-1-carboxamide

Sources & evidence

ORD record
ord-3277460d8f08412780b0938508b35ca9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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