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Potassium Cation → (3-(4-(Pyrimidin-2-yl)piperazin-1-yl)azetidin-1-yl)(6-(trifluoromethyl)benzo[b]thiophen-2-yl)methanone

HRID 159420
Notes
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Reaction equation

HRID 159420 reaction equation
[Br:26][c:27]1[n:28][cH:29][cH:30][cH:31][n:32]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[K+:33].[K+:34].[N:1]1([CH:7]2[CH2:8][N:9]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[c:16]([s:17]3)[cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]4)[CH2:10]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O-:35][C:36]([O-:37])=[O:38].[OH2:44]>>[N:1]1([CH:7]2[CH2:8][N:9]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[c:16]([s:17]3)[cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]4)[CH2:10]2)[CH2:2][CH2:3][N:4]([c:27]2[n:28][cH:29][cH:30][cH:31][n:32]2)[CH2:5][CH2:6]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 783452-BromopyrimidineHCID 66770300(3-(Piperazin-1-yl)azetidin-1-yl)(6-(trifluoromethyl)benzo[b]thiophen-2-yl)methanone

Product 1

HCID 59626169
(3-(4-(Pyrimidin-2-yl)piperazin-1-yl)azetidin-1-yl)(6-(trifluoromethyl)benzo[b]thiophen-2-yl)methanone

Sources & evidence

ORD record
ord-d9f1fa420f954cbb9aa01158e7490321
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes