HRID310502

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

HCID8028

Tetrahydrofuran

C4H8O

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)C=C(OS(=O)(=O)C(F)(F)F)CC(C)(C)C1

HCID11087380

未命名化合物

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：COC(=O)c1ccc(-c2cc(OC)ccc2F)c(B2OC(C)(C)C(C)(C)O2)c1

HCID57706776

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=CC(C)(C)CC(C)(C)C2)c1

HCID57706531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a85c7e912dd49498f4b9979ea84408d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:94]1[O:95][CH2:96][CH2:97][CH2:98]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[c:52]([O:53][CH3:54])[cH:55][cH:56][cH:57][c:58]2[O:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[F:1][c:2]1[c:3](-[c:10]2[c:11]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[F:67][C:68]([F:69])([F:70])[S:71]([O:72][C:73]1=[CH:74][C:75]([CH3:81])([CH3:82])[CH2:76][C:77]([CH3:79])([CH3:80])[CH2:78]1)(=[O:83])=[O:84].[K+:34].[K+:35].[K+:36].[O-:86][C:87]([CH3:88])=[O:89].[O-:90][C:91]([CH3:92])=[O:93].[OH2:66].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[Pd+2:85]>>[F:1][c:2]1[c:3](-[c:10]2[c:11]([C:73]3=[CH:74][C:75]([CH3:81])([CH3:82])[CH2:76][C:77]([CH3:79])([CH3:80])[CH2:78]3)[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1