HRID89455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID75060

2'-Bromoacetophenone

C8H7BrO

结构：COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1

HCID23152432

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：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3C(C)=O)[nH]c2c1

HCID58765163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b6dbf83f6a042f0a2aac8861886ddee
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

[Br:35][c:36]1[c:37]([C:42]([CH3:43])=[O:44])[cH:38][cH:39][cH:40][cH:41]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:47][CH2:48][OH:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:7]1([c:13]2[c:14]([B:26]3[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]3)[nH:15][c:16]3[cH:17][c:18]([C:22](=[O:23])[O:24][CH3:25])[cH:19][cH:20][c:21]23)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[Cl-:45].[Li+:46].[Na+:5].[Na+:6].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[CH:7]1([c:13]2[c:14](-[c:36]3[c:37]([C:42]([CH3:43])=[O:44])[cH:38][cH:39][cH:40][cH:41]3)[nH:15][c:16]3[cH:17][c:18]([C:22](=[O:23])[O:24][CH3:25])[cH:19][cH:20][c:21]23)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1