HRID104735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID16917

3',4'-Methylenedioxycinnamic acid

C10H8O4

HCID616267

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

C14H19N5O2

PRODUCTS

生成物

结构：COc1cc2nc(N3CCN(C(=O)C=Cc4ccc5c(c4)OCO5)CC3)nc(N)c2cc1OC

HCID53746743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50c52f99507041aaaff420e896dad4dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:22]([Cl:23])(=[O:24])[O:25][CH2:26][CH3:27].[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:9])[OH:10])[cH:11][cH:12][c:13]2[O:14]1.[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[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.[OH2:50]>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:6]=[CH:7][C:8](=[O:10])[N:32]3[CH2:31][CH2:30][N:29]([c:35]4[n:36][c:37]5[cH:38][c:39]([O:48][CH3:49])[c:40]([O:46][CH3:47])[cH:41][c:42]5[c:43]([NH2:45])[n:44]4)[CH2:34][CH2:33]3)[cH:11][cH:12][c:13]2[O:14]1