Acetone → 2-[4-(4-Isopropylcinnamoyl)-piperazin-1-yl]-4-amino-6,7-dimethoxyquinazolin

HRID 1202183Notes

Reaction equation

HRID 1202183 reaction equation
[C:22]([Cl:23])(=[O:24])[O:25][CH2:26][CH3:27].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:50][C:51](=[O:52])[CH3:53].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[CH:9][C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[ClH:28].[N:29]1([c:35]2[n:36][c:37]3[cH:38][c:39]([O:48][CH3:49])[c:40]([O:46][CH3:47])[cH:41][c:42]3[c:43]([NH2:45])[n:44]2)[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[CH:9][C:10](=[O:12])[N:32]2[CH2:31][CH2:30][N:29]([c:35]3[n:36][c:37]4[cH:38][c:39]([O:48][CH3:49])[c:40]([O:46][CH3:47])[cH:41][c:42]4[c:43]([NH2:45])[n:44]3)[CH2:34][CH2:33]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 728543-(4-(1-Methylethyl)phenyl)-2-propenoic acidHCID 6162672-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline

Product 1

HCID 544068222-[4-(4-Isopropylcinnamoyl)-piperazin-1-yl]-4-amino-6,7-dimethoxyquinazolin

Sources & evidence

ORD record
ord-a6c187175f234171873255b0cd933e0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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