HRID957337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID241

Benzene

C6H6

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C(CCc1ccc(C(=O)CCCCc2ccccc2)cc1)(NC(C)=O)C(=O)OCC

HCID22178485

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccc(C2(CCCCc3ccccc3)OCCO2)cc1)(NC(C)=O)C(=O)OCC

HCID21026720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c15ec73fa4314cfcb18816d424927275
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([CH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)=[O:30])[cH:17][cH:18]1)[NH:31][C:32]([CH3:33])=[O:34])=[O:35].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[OH:36][CH2:37][CH2:38][OH:39].[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1.[cH:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([CH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]2([CH2:20][CH2:21][CH2:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[O:30][CH2:38][CH2:37][O:36]2)[cH:17][cH:18]1)[NH:31][C:32]([CH3:33])=[O:34])=[O:35]