Trifluoroacetic acid → methyl 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-(1-phenylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carboxylate

HRID 1569065Notes

Reaction equation

HRID 1569065 reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[c:9]([cH:30][cH:31]1)[O:10][CH:11]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)[cH:18][cH:19]1)[CH2:12][O:13]2)[NH:32][CH:33]([CH2:34][CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH3:1][O:2][C:3]([CH:4]1[CH2:5][c:6]2[cH:7][c:8]3[c:9]([cH:30][c:31]2[CH2:44][N:32]1[CH:33]([CH2:34][CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:10][CH:11]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][c:22]2[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]2)[cH:18][cH:19]1)[CH2:12][O:13]3)=[O:42]

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 76761713Methyl 3-[2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(1-phenylpropylamino)propanoate

Product 1

HCID 76761824methyl 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-(1-phenylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carboxylate

Sources & evidence

ORD record
ord-dd03ad72956f48f7817a97cd272878c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…