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Sodium Ion → 4-[6-(4-Cyclohexyl-3-trifluoromethyl-benzyloxy)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester

HRID 88433
Notes
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Reaction equation

HRID 88433 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH2:9][c:10]2[cH:11][c:12]([C:22]([F:23])([F:24])[F:25])[c:13]([CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[n:6][cH:7]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Fe+2:88].[N:26]1([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[Na+:44].[cH:52]1[cH:53][cH:54][c:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c-:63]2[cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69]1.[cH:70]1[cH:71][cH:72][c:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c-:81]2[cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87]1>>[c:2]1([N:29]2[CH2:28][CH2:27][N:26]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:31][CH2:30]2)[cH:3][cH:4][c:5]([O:8][CH2:9][c:10]2[cH:11][c:12]([C:22]([F:23])([F:24])[F:25])[c:13]([CH:16]3[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[n:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 1140TolueneHCID 27284Ferrous cationHCID 143452tert-Butyl piperazine-1-carboxylateHCID 45749132-Methylpropan-2-olateHCID 688136965-Bromo-2-(4-cyclohexyl-3-trifluoromethyl-benzyloxy)-pyridine
HCID 178420532
HCID 178420532, compound
2×

Product 1

HCID 688120204-[6-(4-Cyclohexyl-3-trifluoromethyl-benzyloxy)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-8b8821192d364d6aa8b2f98ff48db880
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes