Ethyl Acetate → Neldazosin

HRID 2348740Notes

Reaction equation

HRID 2348740 reaction equation
[C:22]1(=[O:27])[CH2:23][CH:24]([CH3:25])[O:26]1.[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[N:1]1([c:7]2[n:8][c:9]3[cH:10][c:11]([O:20][CH3:21])[c:12]([O:18][CH3:19])[cH:13][c:14]3[c:15]([NH2:17])[n:16]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1>>[N:1]1([c:7]2[n:8][c:9]3[cH:10][c:11]([O:20][CH3:21])[c:12]([O:18][CH3:19])[cH:13][c:14]3[c:15]([NH2:17])[n:16]2)[CH2:2][CH2:3][N:4]([C:22]([CH2:23][CH:24]([CH3:25])[OH:26])=[O:27])[CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 18303beta-BUTYROLACTONEHCID 6162672-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline

Product 1

HCID 65908Neldazosin

Sources & evidence

ORD record
ord-94b836a73e984f369bc664aa520fbf9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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