HRID88168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)CC1CN(C(=O)NCCC2CCNCC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76021609

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1CN(C(=O)NCCC2CCN(S(C)(=O)=O)CC2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

HCID76021610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c8925a228a84fd881742657120424e4
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

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