HRID108713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID53408009

4-Iodo-1-methylpyridin-2(1H)-one

C6H6INO

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CCCO)(C(C)C)OC1=O

HCID70952831

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC(CCCO)(C(C)C)OC1=O

HCID72344385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-508b37a2e2c24b9390576340d952d87d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cs+:45].[Cs+:46].[I:32][c:33]1[cH:34][c:35](=[O:40])[n:36]([CH3:39])[cH:37][cH:38]1.[OH2:100].[OH:1][CH2:2][CH2:3][CH2:4][C:5]1([CH:29]([CH3:30])[CH3:31])[CH2:6][CH2:7][N:8]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17]([B:20]3[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]3)[cH:18][cH:19]2)[C:9](=[O:11])[O:10]1.[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[OH:1][CH2:2][CH2:3][CH2:4][C:5]1([CH:29]([CH3:30])[CH3:31])[CH2:6][CH2:7][N:8]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17](-[c:33]3[cH:34][c:35](=[O:40])[n:36]([CH3:39])[cH:37][cH:38]3)[cH:18][cH:19]2)[C:9](=[O:11])[O:10]1