Acetic Acid → 3,4,8,9-Tetrahydro-6-methoxy-3,3,8,8-tetramethyl-1-(3-nitrophenyl)furo[2,3-h]isoquinoline

HRID 702749

Reaction equation

HRID 702749 reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:6][O:7][c:8]1[cH:9][c:10]([CH:19]=[C:20]([CH3:21])[CH3:22])[cH:11][c:12]2[c:16]1[O:15][C:14]([CH3:17])([CH3:18])[CH2:13]2.[N+:23](=[O:24])([O-:25])[c:26]1[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32][cH:33]1.[NH3:34].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[CH3:6][O:7][c:8]1[cH:9][c:10]2[c:11]([c:12]3[c:16]1[O:15][C:14]([CH3:17])([CH3:18])[CH2:13]3)[C:29]([c:28]1[cH:27][c:26]([N+:23](=[O:24])[O-:25])[cH:33][cH:32][cH:31]1)=[N:30][C:20]([CH3:21])([CH3:22])[CH2:19]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 222AmmoniaHCID 1118Sulfuric AcidHCID 1140TolueneHCID 120793-NitrobenzonitrileHCID 223440632,3-Dihydro-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)benzofuran

Product 1

HCID 223439873,4,8,9-Tetrahydro-6-methoxy-3,3,8,8-tetramethyl-1-(3-nitrophenyl)furo[2,3-h]isoquinoline

Sources & evidence

ORD record
ord-803584f9154b40dda286eb4f44205801
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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