HRID2154479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID101856

3,5-Bis(trifluoromethyl)benzoyl chloride

C9H3ClF6O

结构：COc1cccc(CC2CN(C(=O)OCc3ccccc3)CCN2)c1OC

HCID22342710

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CC2CN(C(=O)OCc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC

HCID22342876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfcc27bfd60241999bfd81e421c9cfa1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:52](=[O:53])([O-:54])[OH:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([CH2:17][c:18]2[c:19]([O:26][CH3:27])[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]2)[NH:14][CH2:15][CH2:16]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:57][CH2:58][Cl:59].[F:35][C:36]([c:37]1[cH:38][c:39]([C:40](=[O:41])[Cl:42])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51].[Na+:56].[OH2:60]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]([CH2:17][c:18]2[c:19]([O:26][CH3:27])[c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]2)[N:14]([C:40]([c:39]2[cH:38][c:37]([C:36]([F:35])([F:50])[F:51])[cH:45][c:44]([C:46]([F:47])([F:48])[F:49])[cH:43]2)=[O:41])[CH2:15][CH2:16]1