HRID302211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID79000

Trifluoromethanesulphonyl chloride

CClF3O2S

结构：CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCc2ccc(O)cc2C1

HCID68624353

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

HCID86589090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c58440c65ee4edbb558d0967c936c86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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