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

HRID 2150314
Notes
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Reaction equation

HRID 2150314 reaction equation
[CH3:21][N:22]1[CH2:23][CH2:24][CH2:25][C:26]1=[O:27].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[N:8]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[C:9](=[O:11])[CH2:10]2.[ClH:28].[ClH:29].[F:30][c:31]1[c:32]([C:53]([F:54])([F:55])[F:56])[cH:33][c:34](-[c:37]2[n:38][c:39]([CH:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)[n:40]([CH2:42][CH2:43][N:44]([CH3:45])[CH3:46])[cH:41]2)[cH:35][cH:36]1>>[c:2]1([N:50]2[CH2:49][CH2:48][CH:47]([c:39]3[n:38][c:37](-[c:34]4[cH:33][c:32]([C:53]([F:54])([F:55])[F:56])[c:31]([F:30])[cH:36][cH:35]4)[cH:41][n:40]3[CH2:42][CH2:43][N:44]([CH3:45])[CH3:46])[CH2:52][CH2:51]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[N:8]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1)[C:9](=[O:11])[CH2:10]2
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 60194946N,N-Dimethyl-2-(piperidine-4-yl)-4-[3-(trifluoromethyl)-4-fluorophenyl]-1H-imidazole-1-ethanamineHCID 866416104-Chloro-7-(4-methoxybenzyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

Product 1

HCID 67265086
4-(4-(1-(2-(Dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-7-(4-methoxybenzyl)-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

Sources & evidence

ORD record
ord-0ac9e9472fe546e4a5c4d2feba3b6fbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes