Acetate → 1,4-Naphthalenedione, 2-chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-

HRID 1207988Notes

Reaction equation

HRID 1207988 reaction equation
[CH3:29][C:30](=[O:31])[O-:32].[CH3:34][C:35](=[O:36])[OH:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]3([Cl:27])[C:15](=[O:26])[c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[C:22](=[O:25])[CH:23]3[Cl:24])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:28].[OH2:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:14]3=[C:23]([Cl:24])[C:22](=[O:25])[c:21]4[c:16]([cH:17][cH:18][cH:19][cH:20]4)[C:15]3=[O:26])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 251646042-[4-(4-Chlorophenyl)cyclohexyl]-2,3-dichloro-2,3-dihydro-1,4-naphthoquinone

Product 1

HCID 111010701,4-Naphthalenedione, 2-chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-

Sources & evidence

ORD record
ord-d6fe5fc2a591432d95a309734857515c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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