HRID1202183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID72854

3-[4-(1-Methylethyl)phenyl]-2-propenoic acid

C12H14O2

HCID616267

2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline

C14H19N5O2

PRODUCTS

生成物

结构：COc1cc2nc(N3CCN(C(=O)C=Cc4ccc(C(C)C)cc4)CC3)nc(N)c2cc1OC

HCID54406822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6c187175f234171873255b0cd933e0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[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