Hydrochloric Acid → Tolcapone

HRID 1231867Notes

Reaction equation

HRID 1231867 reaction equation
[CH2:34]([Cl:35])[Cl:36].[CH3:5][CH2:6][N:7]([CH2:8][CH3:9])[CH2:10][CH3:11].[Cl:1][Al:2]([Cl:3])[Cl:4].[ClH:33].[OH:12][c:13]1[c:14]([O:31][CH3:32])[cH:15][c:16]([C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:26][c:27]1[N+:28](=[O:29])[O-:30]>>[OH:12][c:13]1[c:14]([OH:31])[cH:15][c:16]([C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:26][c:27]1[N+:28](=[O:29])[O-:30]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24012Aluminum ChlorideHCID 1261173-O-Methyltolcapone

Product 1

HCID 4659569Tolcapone

Sources & evidence

ORD record
ord-5818ace8aa8f490cb31c5475b8cf848e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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