HRID1233156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID105144

Palladium(2+)

Pd+2

结构：C=CCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCc2cc(OC)c3ccccc3c2OC)cc1

HCID53648544

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(O)cc2)c(OC)c2ccccc12

HCID54373685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7ca6f796a38400caead9f693a1470ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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