Acetone → (6,7-Dimethoxy-4-thioureido-isoquinolin-1-ylmethyl)carbamic acid tert-butyl ester

HRID 698734

Reaction equation

HRID 698734 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[n:10][cH:11][c:12]([NH2:23])[c:13]2[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][c:18]12)=[O:24].[C:25](=[O:26])([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[N:33]=[C:34]=[S:35].[CH3:36][CH2:37][OH:38].[CH3:39][C:40](=[O:41])[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[n:10][cH:11][c:12]([NH:23][C:34]([NH2:33])=[S:35])[c:13]2[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][c:18]12)=[O:24]

Participants

5

Reactant 4

HCID 180AcetoneHCID 702EthanolHCID 68284Benzoyl isothiocyanateHCID 59341104(4-Amino-6,7-dimethoxy-isoquinolin-1-ylmethyl)carbamic acid tert-butyl ester

Product 1

HCID 59341094(6,7-Dimethoxy-4-thioureido-isoquinolin-1-ylmethyl)carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-3d3e15691def4198ad8263b003f9b187
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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