HRID198007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID67435

1,4-Dioxa-8-azaspiro(4.5)decane

C7H13NO2

HCID105144

Palladium(2+)

Pd+2

HCID519671

1-(Benzyloxy)-4-iodobenzene

C13H11IO

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：c1ccc(COc2ccc(N3CCC4(CC3)OCCO4)cc2)cc1

HCID66783918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f707e9ccbed4d4eb41727665934cec6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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