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Chloride → 4-Cyano-4-(2-isopropyl-7-methoxybenzoxazol-4-yl)cyclohexanone

HRID 95842
Notes
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Reaction equation

HRID 95842 reaction equation
[C:1](#[N:2])[C:3]1([c:14]2[cH:15][cH:16][c:17]([O:26][CH3:27])[c:18]3[c:19]2[n:20][c:21]([CH:23]([CH3:24])[CH3:25])[o:22]3)[CH2:4][CH2:5][C:6](=[O:13])[CH:7]([C:9]([O:10][CH3:11])=[O:12])[CH2:8]1.[CH3:31][S:32]([CH3:33])=[O:34].[Cl-:28].[Na+:29].[OH2:30]>>[C:1](#[N:2])[C:3]1([c:14]2[cH:15][cH:16][c:17]([O:26][CH3:27])[c:18]3[c:19]2[n:20][c:21]([CH:23]([CH3:24])[CH3:25])[o:22]3)[CH2:4][CH2:5][C:6](=[O:13])[CH2:7][CH2:8]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 962WaterHCID 22614794Methyl 5-cyano-5-(2-isopropyl-7-methoxybenzoxazol-4-yl)-2-oxocyclohexanecarboxylate

Product 1

HCID 97967974-Cyano-4-(2-isopropyl-7-methoxybenzoxazol-4-yl)cyclohexanone

Sources & evidence

ORD record
ord-1e162abd0e7846fa9b82a7595b8d503b
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