HRID2335436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2760919

Cyclopropanesulfonyl chloride

C3H5ClO2S

结构：Cn1cc(C#Cc2ccc(NC(=O)C3COCCN3C(=O)C(N)c3ccccc3)cc2)c(-c2cc(Cl)ccc2O)n1

HCID136346689

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C#Cc2ccc(NC(=O)C3COCCN3C(=O)C(NS(=O)(=O)C3CC3)c3ccccc3)cc2)c(-c2cc(Cl)ccc2O)n1

HCID136346693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7191439b065419d81a1c5cff0b2ffc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH:42]1([S:45](=[O:46])(=[O:47])[Cl:48])[CH2:43][CH2:44]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:41])[c:6](-[c:8]2[n:9][n:10]([CH3:40])[cH:11][c:12]2[C:13]#[C:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[CH:24]3[CH2:25][O:26][CH2:27][CH2:28][N:29]3[C:30]([CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[NH2:38])=[O:39])[cH:19][cH:20]2)[cH:7]1.[Cl:56][CH2:57][Cl:58]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:41])[c:6](-[c:8]2[n:9][n:10]([CH3:40])[cH:11][c:12]2[C:13]#[C:14][c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[CH:24]3[CH2:25][O:26][CH2:27][CH2:28][N:29]3[C:30]([CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[NH:38][S:45]([CH:42]3[CH2:43][CH2:44]3)(=[O:46])=[O:47])=[O:39])[cH:19][cH:20]2)[cH:7]1