Benzene → 4-METHOXY-2'-METHYLBENZOPHENONE

HRID 299379Notes

Reaction equation

HRID 299379 reaction equation
[Al+3:62].[CH2:33]([OH:34])[C:35]#[CH:36].[CH3:11][O:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[Cl-:61].[Cl-:63].[Cl-:64].[Na+:60].[O:19]=[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH-:59].[OH:37][c:38]1[cH:39][c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47]1.[S:71]=[C:72]=[S:73].[c:1]1([CH3:10])[c:2]([C:7](=[O:8])[Cl:9])[cH:3][cH:4][cH:5][cH:6]1.[c:48]1([CH3:49])[cH:50][cH:51][c:52]([S:53]([OH:54])(=[O:55])=[O:56])[cH:57][cH:58]1.[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[c:1]1([CH3:10])[c:2]([C:7](=[O:8])[c:16]2[cH:15][cH:14][c:13]([O:12][CH3:11])[cH:18][cH:17]2)[cH:3][cH:4][cH:5][cH:6]1

Participants

13

Reactant 12

HCID 241BenzeneHCID 312Chloride3×HCID 923Sodium ionHCID 961HydroxideHCID 3102BenzophenoneHCID 6101p-Toluenesulfonic acidHCID 6348Carbon DisulfideHCID 7519AnisoleHCID 7859Propargyl alcoholHCID 86632-NaphtholHCID 702762-Methylbenzoyl chlorideHCID 104727Aluminum Cation

Product 1

HCID 6145214-METHOXY-2'-METHYLBENZOPHENONE

Sources & evidence

ORD record
ord-f3292d5d69884b05b0a48e41c4bfdf43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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