Ethanol → (RS)-3-(2-Hydroxyethyl)-N-(3-propylisoquinol-5-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

HRID 698626Notes

Reaction equation

HRID 698626 reaction equation
[CH3:30][CH2:31][OH:32].[N:1](=[C:2]=[S:3])[c:4]1[c:5]2[cH:6][c:7]([CH2:14][CH2:15][CH3:16])[n:8][cH:9][c:10]2[cH:11][cH:12][cH:13]1.[OH:17][CH2:18][CH2:19][CH:20]1[NH:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[CH2:29]1>>[NH:1]([C:2](=[S:3])[N:21]1[CH:20]([CH2:19][CH2:18][OH:17])[CH2:29][c:28]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22]1)[c:4]1[c:5]2[cH:6][c:7]([CH2:14][CH2:15][CH3:16])[n:8][cH:9][c:10]2[cH:11][cH:12][cH:13]1

Participants

4

Reactant 3

HCID 702EthanolHCID 128748552-(1,2,3,4-Tetrahydroisoquinolin-3-yl)ethan-1-olHCID 203500705-Isothiocyanato-3-propylisoquinoline

Product 1

HCID 20350063(RS)-3-(2-Hydroxyethyl)-N-(3-propylisoquinol-5-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

Sources & evidence

ORD record
ord-470f35dbf391417d97becf1e5c8a4489
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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