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

Reaction equation

[CH2:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])[CH3:26].[CH:31]([Cl:32])([Cl:33])[Cl:34].[Cl:27][C:28]([Cl:29])=[S:30].[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]>>[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)[C:28](=[S:30])[O:19][CH2:18]1

Participants

Reactant 4

HCID 6212Chloroform

HCID 8471Triethylamine

HCID 10040Thiophosgene

HCID 136966832-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propane-1,3-diol

Product 1

HCID 148340121-(hydroxymethyl)-9,10-dimethoxy-1,6,7,11b-tetrahydro-2H-[1,3]oxazino[4,3-a]isoquinoline-4-thione

Sources & evidence

ORD record: ord-b13d3f0c05bb41f59f2665d9f1d04809
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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