HRID1213882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CCOc1c(CN2CCCCC2)c2c(c3c1OC(C)(C)C3)C(c1cccc(N)c1)=NC(C)(C)C2

HCID22343774

未命名化合物

PRODUCTS

生成物

结构：CCOc1c(CN2CCCCC2)c2c(c3c1OC(C)(C)C3)C(c1cccc(NS(C)(=O)=O)c1)=NC(C)(C)C2

HCID22343694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43963b1c47494167a6c733f0d9c55fd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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