Toluene → 1-(1-Hydroxy-4-methoxynaphthalen-2-yl)ethan-1-one

HRID 2327647Notes

Reaction equation

HRID 2327647 reaction equation
[CH2:29]([Cl:30])[Cl:31].[CH3:14][C:15]([Cl:16])=[O:17].[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([OH:13])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[N+:25]([CH3:26])([O-:27])=[O:28].[S:32]([O-:33])([C:34]([F:35])([F:36])[F:37])(=[O:38])=[O:39].[S:41]([O-:42])([C:43]([F:44])([F:45])[F:46])(=[O:47])=[O:48].[S:49]([O-:50])([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56].[Sc+3:40]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:15]([CH3:14])=[O:17])[c:6]([OH:13])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12

Participants

8

Reactant 7

HCID 1140TolueneHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 6375NitromethaneHCID 665424-Methoxy-1-naphtholHCID 2758875Trifluoromethanesulfonate3×HCID 4534583Scandium, ion (Sc3+)

Product 1

HCID 109000401-(1-Hydroxy-4-methoxynaphthalen-2-yl)ethan-1-one

Sources & evidence

ORD record
ord-42456fa4a2e341f99d2bb6b47f60f974
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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