HRID149914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID9989237

1H-1,2,3-Triazole-1-ethanol

C4H7N3O

结构：COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1O

HCID10804576

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCn1ccnn1

HCID10597168

6-Methoxy-3-((pivaloyloxy)methyl)-7-(2-(1,2,3-triazol-1-yl)ethoxy)-3,4-dihydroquinazolin-4-one

C19H23N5O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8bee0d39352413b89236152503a8539
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:62]([Cl:63])[Cl:64].[O:50]=[C:51]([O:52][CH2:53][CH3:54])[N:55]=[N:56][C:57]([O:58][CH2:59][CH3:60])=[O:61].[OH:28][c:29]1[c:30]([O:48][CH3:49])[cH:31][c:32]2[c:33](=[O:47])[n:34]([CH2:39][O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[cH:35][n:36][c:37]2[cH:38]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[n:20]1([CH2:25][CH2:26][OH:27])[n:21][n:22][cH:23][cH:24]1>>[n:20]1([CH2:25][CH2:26][O:27][c:29]2[c:30]([O:48][CH3:49])[cH:31][c:32]3[c:33](=[O:47])[n:34]([CH2:39][O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[cH:35][n:36][c:37]3[cH:38]2)[n:21][n:22][cH:23][cH:24]1