HRID300998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID9550

Diazomethane

CH2N2

HCID105144

Palladium(2+)

Pd+2

结构：CCOCCOc1cc(C)c(-c2cccc(COc3ccc(C=CC(=O)OC)cc3)c2)c(C)c1

HCID72271126

未命名化合物

HCID135436526

Methylnitronitrosoguanidine

C2H5N5O3

PRODUCTS

生成物

结构：CCOCCOc1cc(C)c(-c2cccc(COc3ccc(C4CC4C(=O)OC)cc3)c2)c(C)c1

HCID59364065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-162d27cb66e5418b9a63e7d441c65348
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]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:34])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([CH:28]=[CH:29][C:30](=[O:31])[O:32][CH3:33])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1.[CH3:38][N:39]([N:40]=[O:41])[C:42]([NH:43][N+:44]([O-:45])=[O:46])=[NH:47].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH3:69][C:70](=[O:71])[OH:72].[K+:49].[N+:35](=[N-:36])=[CH2:37].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:48].[Pd+2:60]>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:34])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]([CH:28]4[CH:29]([C:30](=[O:31])[O:32][CH3:33])[CH2:37]4)[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1