HRID167074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2733250

3-(Trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O2S

结构：O=C(NC1CCC2CNCC21)C(C1CCCCC1)C1CCCCC1

HCID75150489

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCC2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC21)C(C1CCCCC1)C1CCCCC1

HCID178521769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75d06c84155744a79a9e90d8a2d16864
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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