HRID314345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID4327891

Pentafluorophenyl trifluoroacetate

C8F8O2

结构：COc1ccc(C(OCCCN(CCCC(=O)O)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3Cl)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID86584721

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(OCCCN(CCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3Cl)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

HCID86584720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75d6ba0c8961452f9a8afe0a3ddaf9d7
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

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