HRID2133523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID75654

Diphenyl phosphorochloridate

C12H10ClO3P

HCID81531

Diisopropylethylamine

C8H19N

HCID185497

Rhodium, ion(Rh2 )

Rh+2

结构：CC(O)C1C(=O)NC1C(C)C(=O)C(=[N+]=[N-])C(=O)OCc1ccc([N+](=O)[O-])cc1

HCID76069594

未命名化合物

结构：O=C(OCc1ccc([N+](=O)[O-])cc1)N1CC(S)CC1COCCF

HCID178525202

未命名化合物

PRODUCTS

生成物

结构：CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SC3CC(COCCF)N(C(=O)OCc4ccc([N+](=O)[O-])cc4)C3)C(C)C12

HCID178467303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41c0258a4233482bb32d422cf00777ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:86]([O-:87])(=[O:88])[CH3:89].[C:91]([O-:92])(=[O:93])[CH3:94].[CH3:83][C:84]#[N:85].[CH3:95][CH2:96][O:97][C:98](=[O:99])[CH3:100].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:79][CH:80]([Cl:81])[CH3:82].[F:55][CH2:56][CH2:57][O:58][CH2:59][CH:60]1[N:61]([C:66](=[O:67])[O:68][CH2:69][c:70]2[cH:71][cH:72][c:73]([N+:76](=[O:77])[O-:78])[cH:74][cH:75]2)[CH2:62][CH:63]([SH:65])[CH2:64]1.[N+:1](=[C:3]([C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]1)[C:17](=[O:2])[CH:18]([CH3:19])[CH:20]1[NH:21][C:22](=[O:27])[CH:23]1[CH:24]([CH3:25])[OH:26])=[N-:28].[OH2:101].[P:29]([Cl:30])([O:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)=[O:45].[Rh+2:90]>>[C:3]1([C:4](=[O:5])[O:6][CH2:7][c:8]2[cH:9][cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)=[C:17]([S:65][CH:63]2[CH2:62][N:61]([C:66](=[O:67])[O:68][CH2:69][c:70]3[cH:71][cH:72][c:73]([N+:76](=[O:77])[O-:78])[cH:74][cH:75]3)[CH:60]([CH2:59][O:58][CH2:57][CH2:56][F:55])[CH2:64]2)[CH:18]([CH3:19])[CH:20]2[N:21]1[C:22](=[O:27])[CH:23]2[CH:24]([CH3:25])[OH:26]