HRID166106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID31215

Triethyl phosphite

C6H15O3P

HCID66665

Xylylene dibromide

C8H8Br2

HCID80617

Diethyl formamidomalonate

C8H13NO5

HCID5360545

Sodium

HCID15171995

Diethyl {[2-(bromomethyl)phenyl]methyl}phosphonate

C12H18BrO3P

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccccc1CP(=O)(OCC)OCC)(NC=O)C(=O)OCC

HCID57106593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9612d848b3ea4d2aa6094c3d91a30b8c
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

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