HRID137102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID260

Hydrogen Bromide

BrH

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID23925

Iron

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID36336

1,4,7,10,13-Pentaoxacyclopentadecane

C10H20O5

HCID166653

Hydride

H-

HCID256065

Diethyl [(4-nitrophenyl)methyl]phosphonate

C11H16NO5P

HCID599071

dipyridyl ether

C10H8N2O

结构：COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2cc(F)c[nH]c2=O)cc1C(C)(C)C

HCID67070068

未命名化合物

PRODUCTS

生成物

结构：COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

HCID67286563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da61fa46762545169e69833ba80ad44a
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

[BrH:87].[C:36]([CH3:37])([CH3:38])([CH3:39])[c:40]1[c:41]([O:67][CH3:68])[c:42]([CH:54]=[CH:55][c:56]2[cH:57][cH:58][c:59]([NH:62][S:63](=[O:64])(=[O:65])[CH3:66])[cH:60][cH:61]2)[cH:43][c:44](-[c:46]2[c:47](=[O:53])[nH:48][cH:49][c:50]([F:52])[cH:51]2)[cH:45]1.[C:88]([OH:89])(=[O:90])[CH3:91].[CH2:21]1[O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][O:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][O:34][CH2:35]1.[Cl-:93].[Fe:92].[H-:20].[N+:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][P:7](=[O:8])([O:9][CH2:10][CH3:11])[O:12][CH2:13][CH3:14])[cH:15][cH:16]1)([O-:17])=[O:18].[NH4+:94].[Na+:19].[S:69]([Cl:70])([CH3:71])(=[O:72])=[O:73].[n:74]1[cH:75][cH:76][cH:77][cH:78][c:79]1[O:80][c:81]1[cH:82][cH:83][cH:84][cH:85][n:86]1>>[C:36]([CH3:37])([CH3:38])([CH3:39])[c:40]1[c:41]([O:67][CH3:68])[c:42]([CH:54]=[CH:55][c:56]2[cH:57][cH:58][c:59]([NH:62][S:63](=[O:64])(=[O:65])[CH3:66])[cH:60][cH:61]2)[cH:43][c:44](-[c:46]2[c:47](=[O:53])[nH:48][cH:49][cH:50][cH:51]2)[cH:45]1