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Bromide ion → 5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(2-hydroxypentan-3-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

HRID 214024
Notes
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Reaction equation

HRID 214024 reaction equation
[Br-:31].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH:25]=[O:26])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:32][Mg+:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[c:50]1([CH3:51])[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:30])[C:5](=[O:29])[N:6]([CH:24]([CH:25]([OH:26])[CH3:34])[CH2:27][CH3:28])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 259Bromide ionHCID 1140TolueneHCID 8028Tetrahydrofuran2×HCID 8857Ethyl AcetateHCID 768343742-[5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]butanalHCID 178477777HCID 178477777, compound

Product 1

HCID 76834408
5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(2-hydroxypentan-3-yl)-3-methyl-3-prop-2-enylpiperidin-2-one

Sources & evidence

ORD record
ord-96f3d0dcd4c64d62a4b4393f3cceed51
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