HRID314980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID7416

Nitrobenzene

C6H5NO2

HCID7582

Dicyclohexylamine

C12H23N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID31275

1,4-Dioxane

C4H8O2

HCID102568

未命名化合物

PRODUCTS

生成物

HCID7582

Dicyclohexylamine

C12H23N

结构：O=C(NCCCCC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O)OCc1ccccc1

HCID178523317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b21f3a6ea820404ab4673ab204143f03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([NH2:17])[C:18](=[O:19])[OH:20].[CH3:56][CH2:57][O:58][CH2:59][CH3:60].[CH:41]1([NH:47][CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[N+:32](=[O:33])([O-:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:55].[O:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[OH-:54].[S:27](=[O:28])(=[O:29])([Cl:30])[Cl:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([NH:17][S:27](=[O:28])(=[O:29])[c:36]1[c:35]([N+:32](=[O:33])[O-:34])[cH:40][cH:39][cH:38][cH:37]1)[C:18](=[O:19])[OH:20].[CH:41]1([NH:47][CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1