HRID302534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

HCID12338585

5,7-Dichloro-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

C10H8Cl2N2O

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：COc1ccc(C2=NCC(=O)N(C)c3ccc(Cl)cc32)cc1

HCID3085818

14-BENZDIAZPIN-2-ONE,1ME5-(4MEOPH)7CL

C17H15ClN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adc0010e85454ca696c57c136f876824
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

[C:22](=[O:23])([O-:24])[O-:25].[CH3:116][CH2:117][O:118][C:119]([CH3:120])=[O:121].[CH3:16][O:17][CH2:18][CH2:19][O:20][CH3:21].[CH3:28][O:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[Cl:1][C:2]1=[N:8][CH2:7][C:6](=[O:9])[N:5]([CH3:10])[c:4]2[c:3]1[cH:14][c:13]([Cl:15])[cH:12][cH:11]2.[Na+:26].[Na+:27].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)([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)[cH:114][cH:115]1>>[C:2]1([c:33]2[cH:32][cH:31][c:30]([O:29][CH3:28])[cH:35][cH:34]2)=[N:8][CH2:7][C:6](=[O:9])[N:5]([CH3:10])[c:4]2[c:3]1[cH:14][c:13]([Cl:15])[cH:12][cH:11]2