HRID106288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID78109

Benzaldehyde, 4-(phenylmethoxy)-

C14H12O2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：Cc1ccc(OCC(=O)N2C(=O)OCC2Cc2ccccc2)cc1

HCID23139765

未命名化合物

HCID178440531

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(OC(C(=O)N2C(=O)OCC2Cc2ccccc2)C(O)c2ccc(OCc3ccccc3)cc2)cc1

HCID178426878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bf68a9d3aae426cb0d24ec62f0d5b97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]1[N:26]([C:31]([CH2:32][O:33][c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)=[O:41])[C:27](=[O:30])[O:28][CH2:29]1.[CH2:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[O:49][c:50]1[cH:51][cH:52][c:53]([CH:54]=[O:55])[cH:56][cH:57]1.[CH2:9]([B+:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH3:17].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:72][OH:73].[Cl-:59].[Cl:62][CH2:63][Cl:64].[Na+:58].[OH:60][OH:61].[S:1]([O-:2])([C:3]([F:4])([F:5])[F:6])(=[O:7])=[O:8]>>[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]1[N:26]([C:31]([CH:32]([O:33][c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[CH:54]([c:53]2[cH:52][cH:51][c:50]([O:49][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:57][cH:56]2)[OH:55])=[O:41])[C:27](=[O:30])[O:28][CH2:29]1