Sulfuric Acid → 6-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

HRID 162851Notes

Reaction equation

HRID 162851 reaction equation
[F:31][C:32]([F:33])([F:34])[C:35]([OH:36])=[O:37].[OH:1][CH:2]([CH2:3][NH:4][CH2:5][CH2:6][c:7]1[c:8]([Cl:17])[c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][cH:12]1)[c:18]1[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1.[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[CH:2]1([c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[CH2:3][NH:4][CH2:5][CH2:6][c:7]2[c:8]([Cl:17])[c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][c:12]21

Participants

4

Reactant 3

HCID 1118Sulfuric AcidHCID 6422Trifluoroacetic acidHCID 3018199N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine

Product 1

HCID 64554486-chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

Sources & evidence

ORD record
ord-534ea319701b4760bbcd34b815f7921a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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