HRID209150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID12308

3-Bromo-1-propanol

C3H7BrO

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

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

HCID10804576

(7-Hydroxy-6-methoxy-4-oxoquinazolin-3(4H)-yl)methyl pivalate

C15H18N2O5

PRODUCTS

生成物

结构：COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCCBr

HCID21874817

[7-(3-Bromopropoxy)-6-methoxy-4-oxo-3(4H)-quinazolinyl]methyl 2,2-dimethylpropanoate

C18H23BrN2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc8e5e5589f94c8ab665121d4728c04a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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