HRID314819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7520

Benzene, (methylthio)-

C7H8S

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID13097

Triphenylphosphine oxide

C18H15OP

结构：COCCOc1cc([N+](=O)[O-])c2[nH]c(C(=O)NCC(SCc3ccccc3)C(OC)OC)cc2c1

HCID59136022

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc([N+](=O)[O-])c2[nH]c(C3=NCC(C(OC)OC)S3)cc2c1

HCID57476221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b93a39068482437f9edb10c40a4053de
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

[CH2:34]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:46]1)[S:41][CH:42]([CH2:43][NH:44][C:45](=[O:35])[c:47]1[nH:48][c:49]2[c:50]([N+:61](=[O:62])[O-:63])[cH:51][c:52]([O:56][CH2:57][CH2:58][O:59][CH3:60])[cH:53][c:54]2[cH:55]1)[CH:64]([O:65][CH3:66])[O:67][CH3:68].[Cl:77][CH2:78][Cl:79].[F:21][C:22]([F:23])([F:24])[C:25]([O:26][C:27](=[O:28])[C:29]([F:30])([F:31])[F:32])=[O:33].[OH2:80].[c:1]1([P:2](=[O:3])([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1.[c:69]1([S:70][CH3:71])[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[S:41]1[CH:42]([CH:64]([O:65][CH3:66])[O:67][CH3:68])[CH2:43][N:44]=[C:45]1[c:47]1[nH:48][c:49]2[c:50]([N+:61](=[O:62])[O-:63])[cH:51][c:52]([O:56][CH2:57][CH2:58][O:59][CH3:60])[cH:53][c:54]2[cH:55]1