HRID1152618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID7501

Styrene

C8H8

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)C(=O)OCC1OC(Oc2n[nH]c3cccc(Br)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID178447502

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCC1OC(Oc2n[nH]c3cccc(C=Cc4ccccc4)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID178447503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6ec61c1ace2433187c3425f1a63d26a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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