HRID176286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID10967830

Methanesulfonic acid, trifluoro-, 3,4-dihydro-1-naphthalenyl ester

C11H9F3O3S

HCID21838129

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：CC1(C)COC(c2cccc(C3=CCCc4ccccc43)c2)=N1

HCID21838180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-965431e09a7442869c7f4f988a1a8008
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:19][C:20]1([CH3:34])[N:21]=[C:22]([c:25]2[cH:26][c:27]([B:31]([OH:32])[OH:33])[cH:28][cH:29][cH:30]2)[O:23][CH2:24]1.[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl-:36].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][C:7]1=[CH:8][CH2:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]21)(=[O:17])=[O:18].[Li+:35].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[C:7]1([c:27]2[cH:26][c:25]([C:22]3=[N:21][C:20]([CH3:19])([CH3:34])[CH2:24][O:23]3)[cH:30][cH:29][cH:28]2)=[CH:8][CH2:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]21