HRID804910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID36704

(Diethoxyphosphoryl)acetic acid

C6H13O5P

HCID67271980

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(C(=O)CN(C(=O)CP(=O)(OCC)OCC)C(C)c2ccccc2)CC1

HCID90860097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2a284530ff0428d9f1530706e7a83b2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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