HRID2136442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(CCO)cc2)n1

HCID58729053

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(CCOS(C)(=O)=O)cc2)n1

HCID86608448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8143301998db4550a2ccd0b20db63072
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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