Acetone → Doxazosin

HRID 1571027Notes

Reaction equation

HRID 1571027 reaction equation
[CH3:19][O:20][c:21]1[cH:22][c:23]2[c:24]([NH2:39])[n:25][c:26]([N:33]3[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]3)[n:27][c:28]2[cH:29][c:30]1[O:31][CH3:32].[CH3:55][C:56](=[O:57])[CH3:58].[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[O:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1.[O:1]1[CH:2]([C:11](=[O:12])[OH:13])[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[O:1]1[CH:2]([C:11](=[O:13])[N:36]2[CH2:35][CH2:34][N:33]([c:26]3[n:25][c:24]([NH2:39])[c:23]4[cH:22][c:21]([O:20][CH3:19])[c:30]([O:31][CH3:32])[cH:29][c:28]4[n:27]3)[CH2:38][CH2:37]2)[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 8028TetrahydrofuranHCID 10868DicyclohexylcarbodiimideHCID 6162672-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazolineHCID 27354501,4-Benzodioxane-2-carboxylic acid

Product 1

HCID 3157Doxazosin

Sources & evidence

ORD record
ord-18165dae8e62433bb68777920ab9e4cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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