Benzene → HCID 12788130, compound

HRID 2339685Notes

Reaction equation

HRID 2339685 reaction equation
[C:30]([O:31][CH2:32][CH3:33])(=[O:34])[CH3:35].[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][CH3:14])-[c:9]1[n:8]([c:18](=[O:19])[n:17][c:16]([Cl:20])[cH:15]1)[CH2:7][CH2:6]2.[CH3:21][c:22]1[cH:23][cH:24][cH:25][c:26]([CH3:27])[c:28]1[NH2:29].[CH3:42][OH:43].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][CH3:14])-[c:9]1[n:8]([c:18](=[O:19])[n:17][c:16]([NH:29][c:28]3[c:22]([CH3:21])[cH:23][cH:24][cH:25][c:26]3[CH3:27])[cH:15]1)[CH2:7][CH2:6]2

Participants

7

Reactant 6

HCID 241BenzeneHCID 2631-ButanolHCID 887MethanolHCID 68962,6-DimethylanilineHCID 8857Ethyl AcetateHCID 46787202-Chloro-6,7-dihydro-9,10-dimethoxy-4H-pyrimido[6,1-a]isoquinolin-4-one

Product 1

HCID 12788130HCID 12788130, compound

Sources & evidence

ORD record
ord-2be92c1c155f4d8796754e9eede8a97a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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