HRID177097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID283

Formic acid, ion(1-)

CHO2-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID1385867

N,N-Diethylethanaminium

C6H16N+

结构：Cc1cc(=O)c2c(S(=O)(=O)C(F)(F)F)c3ccoc3c(OCCCc3ccccc3)c2o1

HCID68713870

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(=O)c2cc3ccoc3c(OCCCc3ccccc3)c2o1

HCID59272404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a6b3a9caee74abf99478f2467dcfd3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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