HRID666892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID32743

3-Butenoic acid

C4H6O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(Br)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476104

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(Oc2n[nH]c(C(C)C)c2Cc2ccc(C=CCC(=O)O)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62da88b0d2874407886de58ac9705992
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:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:38]([CH3:39])[CH3:40])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([Br:37])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[C:41]([CH2:42][CH:43]=[CH2:44])(=[O:45])[OH:46].[C:79]([O-:80])(=[O:81])[CH3:82].[C:84]([O-:85])(=[O:86])[CH3:87].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][c:60]1[P:61]([c:62]1[cH:63][cH:64][cH:65][cH:66][c:67]1[CH3:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][c:74]1[CH3:75].[CH3:76][C:77]#[N:78].[Pd+2:83]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:24][c:25]2[n:26][nH:27][c:28]([CH:38]([CH3:39])[CH3:40])[c:29]2[CH2:30][c:31]2[cH:32][cH:33][c:34]([CH:44]=[CH:43][CH2:42][C:41](=[O:45])[OH:46])[cH:35][cH:36]2)[O:7][CH:8]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]