HRID140273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62324

Propanoyl chloride

C3H5ClO

结构：COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n1)CCN(CCO)CC2

HCID66830352

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)OCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)cc2CC1

HCID66830588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c2096b2800440759b39ed00671515dc
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

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