Hydrochloric Acid → 4-(4-(1-(2-(Dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-7-(2,4-dimethoxybenzyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

HRID 2162890Notes

Reaction equation

HRID 2162890 reaction equation
[CH3:23][OH:24].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[N:8]([CH2:12][c:13]1[c:14]([O:21][CH3:22])[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[C:9](=[O:11])[CH2:10]2.[ClH:25].[ClH:26].[F:27][c:28]1[c:29]([C:50]([F:51])([F:52])[F:53])[cH:30][c:31](-[c:34]2[n:35][c:36]([CH:44]3[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]3)[n:37]([CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[cH:38]2)[cH:32][cH:33]1>>[c:2]1([N:47]2[CH2:46][CH2:45][CH:44]([c:36]3[n:35][c:34](-[c:31]4[cH:30][c:29]([C:50]([F:51])([F:52])[F:53])[c:28]([F:27])[cH:33][cH:32]4)[cH:38][n:37]3[CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH2:49][CH2:48]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[N:8]([CH2:12][c:13]1[c:14]([O:21][CH3:22])[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[C:9](=[O:11])[CH2:10]2

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 569717344-chloro-7-(2,4-dimethoxybenzyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-oneHCID 60194946N,N-Dimethyl-2-(piperidine-4-yl)-4-[3-(trifluoromethyl)-4-fluorophenyl]-1H-imidazole-1-ethanamine

Product 1

HCID 672649744-(4-(1-(2-(Dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-7-(2,4-dimethoxybenzyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

Sources & evidence

ORD record
ord-7494efd60c6f4dbc8fead4b1ddd4232b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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