HRID293082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID136416

Acetamide, N-(2-bromophenyl)-

C8H8BrNO

结构：CC(=O)N1Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C=Cc2cc(Cl)ccc21

HCID69196384

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(=O)Nc1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Cl)cc1C=C2

HCID68890741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33ee0541ad3e46b1abb6d9cb731c4134
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:30][c:31]1[c:32]([NH:37][C:38]([CH3:39])=[O:40])[cH:33][cH:34][cH:35][cH:36]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][CH2:48][OH:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:28][cH:29]1)[N:6]([C:25]([CH3:26])=[O:27])[CH2:7][c:8]1[c:9]([cH:12][cH:13][c:14]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:15]1)[CH:10]=[CH:11]2.[Na+:45].[Na+:46].[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>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:28][cH:29]1)[N:6]([C:25]([CH3:26])=[O:27])[CH2:7][c:8]1[c:9]([cH:12][cH:13][c:14](-[c:31]3[c:32]([NH:37][C:38]([CH3:39])=[O:40])[cH:33][cH:34][cH:35][cH:36]3)[cH:15]1)[CH:10]=[CH:11]2