HRID1128712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID54067316

Methyl 2-iodo-3-methoxyprop-2-enoate

C5H7IO3

HCID66970264

未命名化合物

PRODUCTS

生成物

结构：COC=C(C(=O)OC)c1ccc(Cl)cc1COc1ccc(OCCOC)cc1

HCID66970256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec1debda160244ae8182a8ac0a2556f7
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

[CH3:124][CH2:125][O:126][C:127](=[O:128])[CH3:129].[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][c:12]2[c:13]([B:19]([OH:20])[OH:21])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)[cH:22][cH:23]1.[CH3:38][O:39][C:40]([C:41](=[CH:42][O:43][CH3:44])[I:45])=[O:46].[K+:29].[K+:30].[K+:31].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH2:130].[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[Pd:47].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][c:12]2[c:13]([C:41]([C:40]([O:39][CH3:38])=[O:46])=[CH:42][O:43][CH3:44])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)[cH:22][cH:23]1