O-Xylene → 4,4-Dimethyl-1-phenyl-3,4-dihydroisoquinoline

Reaction equation

[CH3:20][C:21]([CH2:22][NH:23][C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[O:31])([CH3:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[O:1]=[P:2]12[O:3][P:4]3(=[O:14])[O:5][P:6](=[O:12])([O:7][P:8](=[O:11])([O:9]3)[O:10]1)[O:13]2.[P:15]([Cl:16])([Cl:17])([Cl:18])=[O:19].[c:39]1([CH3:40])[c:41]([CH3:42])[cH:43][cH:44][cH:45][cH:46]1>>[CH3:20][C:21]1([CH3:32])[CH2:22][N:23]=[C:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:38]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2

Participants

Reactant 4

HCID 7237O-Xylene

HCID 14812Phosphorus oxide (P4O10)

HCID 24813Phosphorus oxychloride

HCID 13728589N-(2-methyl-2-phenylpropyl)benzamide

Product 1

HCID 137285984,4-Dimethyl-1-phenyl-3,4-dihydroisoquinoline

Sources & evidence

ORD record: ord-489c2fa8ccc74ff48b47705f8f7b497c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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