HRID695375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID175

Acetate

C2H3O2-

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID712

Formaldehyde

CH2O

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID81219

Phosphine, 1,3-propanediylbis[diphenyl-

C27H26P2

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)CN(C2CC2)Cc2ccc(OS(=O)(=O)C(F)(F)F)cc21

HCID22568878

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)C(C)(C)CN(C1CC1)C2

HCID22568969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca6b05c4b86248bfa60186a58edb972a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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