Ammonium → 3-[1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl]-1,2,3,4-tetrahydro-6-(2-hydroxy-2-propyl)-1-methyl-2,4-dioxoquinazoline

HRID 163400Notes

Reaction equation

HRID 163400 reaction equation
[Br-:5].[C:8]([CH3:9])(=[O:10])[c:11]1[cH:12][c:13]2[c:14](=[O:43])[n:15]([CH:23]3[CH2:24][CH2:25][N:26]([c:29]4[n:30][cH:31][n:32][c:33]5[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][c:38]45)[CH2:27][CH2:28]3)[c:16](=[O:22])[n:17]([CH3:21])[c:18]2[cH:19][cH:20]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:6][Mg+:7].[Ce+3:2].[Cl-:1].[Cl-:3].[Cl-:44].[Cl-:4].[NH4+:45]>>[CH3:6][C:8]([CH3:9])([OH:10])[c:11]1[cH:12][c:13]2[c:14](=[O:43])[n:15]([CH:23]3[CH2:24][CH2:25][N:26]([c:29]4[n:30][cH:31][n:32][c:33]5[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][c:38]45)[CH2:27][CH2:28]3)[c:16](=[O:22])[n:17]([CH3:21])[c:18]2[cH:19][cH:20]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 259Bromide ionHCID 312Chloride4×HCID 8028TetrahydrofuranHCID 114853Cerium(3+)HCID 229233736-Acetyl-3-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-quinazolineHCID 178477777HCID 178477777, compound

Product 1

HCID 544677233-[1-(6,7-Dimethoxy-4-quinazolinyl)-4-piperidinyl]-1,2,3,4-tetrahydro-6-(2-hydroxy-2-propyl)-1-methyl-2,4-dioxoquinazoline

Sources & evidence

ORD record
ord-b6db13c71d6842e380fb36a6622bfbb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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