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Acetone → Tert-butyl 4-[4-(2,3,4,5,6-pentafluorophenoxy)carbonyl-2-prop-1-enylphenyl]piperazine-1-carboxylate

HRID 2345088
Notes
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Reaction equation

HRID 2345088 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:23]=[CH:24][CH3:25])[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH3:26][C:27](=[O:28])[CH3:29].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[F:30][c:31]1[c:32]([F:41])[c:33]([F:40])[c:34]([F:39])[c:35]([F:38])[c:36]1[OH:37].[OH2:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:23]=[CH:24][CH3:25])[cH:16][c:17]([C:18]([O:19][c:36]3[c:31]([F:30])[c:32]([F:41])[c:33]([F:40])[c:34]([F:39])[c:35]3[F:38])=[O:20])[cH:21][cH:22]2)[CH2:12][CH2:13]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 180AcetoneHCID 962WaterHCID 8857Ethyl AcetateHCID 10868DicyclohexylcarbodiimideHCID 13041PentafluorophenolHCID 665988964-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-prop-1-enylbenzoic acid

Product 1

HCID 91180858
Tert-butyl 4-[4-(2,3,4,5,6-pentafluorophenoxy)carbonyl-2-prop-1-enylphenyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-f0dfd0d5f32646cca2bf40b88125d8f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes