Acetic Acid → 1-(hydroxymethyl)-9,10-dimethoxy-1,6,7,11b-tetrahydro-2H,4H-[1,3]oxazino[4,3-a]isoquinoline

HRID 321314Notes

Reaction equation

HRID 321314 reaction equation
[CH3:21][C:22](=[O:23])[OH:24].[CH3:31][OH:32].[ClH:20].[OH:1][CH2:2][CH:3]([CH:4]1[NH:5][CH2:6][CH2:7][c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]21)[CH2:18][OH:19].[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[OH:1][CH2:2][CH:3]1[CH:4]2[N:5]([CH2:6][CH2:7][c:8]3[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]32)[CH2:21][O:19][CH2:18]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 241BenzeneHCID 313Hydrochloric AcidHCID 887MethanolHCID 136966832-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propane-1,3-diol

Product 1

HCID 145953501-(hydroxymethyl)-9,10-dimethoxy-1,6,7,11b-tetrahydro-2H,4H-[1,3]oxazino[4,3-a]isoquinoline

Sources & evidence

ORD record
ord-54c68e86b60f49588239f651e6ce2b33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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