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3-Pyridineacetic acid → 1-[2-[5-(2-chloropyrimidin-5-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

HRID 185529
Notes
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Reaction equation

HRID 185529 reaction equation
[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:28][c:29]1[n:30][cH:31][c:32](-[c:35]2[cH:36][n:37][c:38]([CH:40]3[NH:41][CH2:42][CH2:43][CH2:44]3)[nH:39]2)[cH:33][n:34]1.[ClH:25].[ClH:26].[ClH:27].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:45]1[cH:46][c:47]([CH2:51][C:52](=[O:53])[OH:54])[cH:48][cH:49][cH:50]1.[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:28][c:29]1[n:30][cH:31][c:32](-[c:35]2[cH:36][n:37][c:38]([CH:40]3[N:41]([C:52]([CH2:51][c:47]4[cH:46][n:45][cH:50][cH:49][cH:48]4)=[O:53])[CH2:42][CH2:43][CH2:44]3)[nH:39]2)[cH:33][n:34]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 1083-Pyridineacetic acidHCID 313Hydrochloric Acid3×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 90756700
2-chloro-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)pyrimidine

Product 1

HCID 722360161-[2-[5-(2-chloropyrimidin-5-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

Sources & evidence

ORD record
ord-cd336e9eda2346a69057bf65ecee6a02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes