HRID685553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID2734360

4-Hydroxyphenylboronic acid

C6H7BO3

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1

HCID11618717

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

C29H45P

结构：O=c1ccc2cnc3ccc(Cl)cc3c2n1-c1ccc(Cc2ccccc2)cc1

HCID58524978

未命名化合物

PRODUCTS

生成物

结构：O=c1ccc2cnc3ccc(-c4ccc(O)cc4)cc3c2n1-c1ccc(Cc2ccccc2)cc1

HCID46191692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9342229c1cf479c9c3675f5b5ec134a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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