HRID88523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID31275

1,4-Dioxane

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID11381271

4-chloro-5-(N-methylpiperidin-4-yloxy)-7-methoxyquinazoline

C15H18ClN3O2

HCID16221512

(3-Amino-1H-pyrazol-5-yl)acetic acid

C5H7N3O2

PRODUCTS

生成物

结构：COc1cc(OC2CCN(C)CC2)c2c(Nc3cc(CC(=O)O)n[nH]3)ncnc2c1

HCID178493320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a80503f54e314015a3095a71fcd4f414
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

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