Toluene → 6-(3,4-Dinitrophenyl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine

HRID 695997Notes

Reaction equation

HRID 695997 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:11]2[CH:12]([NH:17][C:18]([c:19]3[cH:20][c:21]([N+:28](=[O:29])[O-:30])[c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]3)=[O:31])[CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:44][C:45]#[N:46].[P:39]([Cl:40])([Cl:41])([Cl:42])=[O:43]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[O:9][CH3:10])[C:18]([c:19]1[cH:20][c:21]([N+:28](=[O:29])[O-:30])[c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]1)=[N:17][CH:12]1[CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 24813Phosphorus oxychlorideHCID 18621294N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-3,4-dinitrobenzamide

Product 1

HCID 99095346-(3,4-Dinitrophenyl)-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridine

Sources & evidence

ORD record
ord-2d5477f3a14d4798b3cae794cc6012fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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