HRID196488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID242

Benzoate

C7H5O2-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID28486

Lithium ion

Li+

结构：CC(=O)NC1C(OCc2ccccc2)OC(COCc2ccccc2)C(OS(C)(=O)=O)C1OCc1ccccc1

HCID14260500

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1C(OCc2ccccc2)OC(COCc2ccccc2)C(OC(=O)c2ccccc2)C1OCc1ccccc1

HCID178474380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad7d83c9704a418c86ab834e720eb079
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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