HRID1144576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

结构：C=CCOC(=O)c1ccc(C(=O)OC(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

HCID21474484

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(OC(=O)c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID21474501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-571c5aa6c28d4d2c832e1a4159f49261
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

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