Acetate → 1-Naphthol

HRID 676807Notes

Reaction equation

HRID 676807 reaction equation
[Br:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[C:48]([CH2:49][C:50]([O:51][CH2:52][CH3:53])=[O:54])#[N:55].[CH3:57][C:58](=[O:59])[O-:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][C:69](=[O:70])[OH:71].[Mg:1].[NH4+:56].[O:13]1[CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH:19]12.[O:20]=[Cr:21]([Cl:22])([O-:23])=[O:24].[c:31]1([CH:41]2[C:42](=[O:47])[CH2:43][CH2:44][CH2:45][CH2:46]2)[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12.[nH+:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:31]1([CH:41]2[C:42](=[O:47])[CH2:43][CH2:44][CH2:45][CH2:46]2)[cH:32][cH:33][cH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12.[c:3]1([OH:13])[cH:4][cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12

Participants

13

Reactant 11

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 1140TolueneHCID 70011-BromonaphthaleneHCID 7764Ethyl cyanoacetateHCID 9246Cyclohexene oxideHCID 2829832-(1-naphthyl)cyclohexanoneHCID 4989215PyridiniumHCID 5462224MagnesiumHCID 178418299HCID 178418299, compound

Product 2

HCID 70051-NaphtholHCID 2829832-(1-naphthyl)cyclohexanone

Sources & evidence

ORD record
ord-fdb208c795b1480195a415c4d1e2c8b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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