HRID136710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID67273272

未命名化合物

HCID68957303

未命名化合物

PRODUCTS

生成物

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(OCC)C(=O)OCC)cc2OCCOCC)c1

HCID91027029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1207e5d6bb1c45bda376283f1ffc0a55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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