Benzene → 2-(1,3-Dioxo-2-azaindan-2-yl)-4-methyl-1-phenylpentan-1-one

HRID 309141Notes

Reaction equation

HRID 309141 reaction equation
[Al+3:31].[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[Cl-:30].[Cl-:32].[Cl-:33].[O:5]=[C:6]1[N:7]([CH:16]([C:17](=[O:18])[OH:19])[CH2:20][CH:21]([CH3:22])[CH3:23])[C:8](=[O:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21.[S:1]([Cl:2])([Cl:3])=[O:4].[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[O:5]=[C:6]1[N:7]([CH:16]([C:17](=[O:19])[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:20][CH:21]([CH3:22])[CH3:23])[C:8](=[O:15])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21

Participants

8

Reactant 7

HCID 241BenzeneHCID 312Chloride3×HCID 702EthanolHCID 8058HexaneHCID 24386Thionyl ChlorideHCID 1028082-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acidHCID 104727Aluminum Cation

Product 1

HCID 197916912-(1,3-Dioxo-2-azaindan-2-yl)-4-methyl-1-phenylpentan-1-one

Sources & evidence

ORD record
ord-b29a7a372318464ebc4535c080c6c557
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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