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1-Bromooctane → 1-(3-Cyclohexylpropyl)-4-(2,5-difluoro-4-methoxyphenyl)piperazine

HRID 169104
Notes
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Reaction equation

HRID 169104 reaction equation
[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:13][c:14]1[F:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH2:22]([Br:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH3:47][S:48]([O:49][CH2:52][CH2:53][CH2:54][CH:55]1[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)(=[O:50])=[O:51].[F:31][c:32]1[c:33]([N:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:34][c:35]([F:40])[c:36]([O:38][CH3:39])[cH:37]1>>[F:31][c:32]1[c:33]([N:41]2[CH2:42][CH2:43][N:44]([CH2:52][CH2:53][CH2:54][CH:55]3[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]3)[CH2:45][CH2:46]2)[cH:34][c:35]([F:40])[c:36]([O:38][CH3:39])[cH:37]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 81401-BromooctaneHCID 231114433-Cyclohexylpropyl methanesulfonateHCID 231114831-(4-Benzyloxy-3-fluorophenyl)piperazineHCID 231114921-(2,5-Difluoro-4-methoxyphenyl)piperazine

Product 1

HCID 231114261-(3-Cyclohexylpropyl)-4-(2,5-difluoro-4-methoxyphenyl)piperazine

Sources & evidence

ORD record
ord-a78ca9b339d046efb0f32ddff8a21812
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