HRID1220093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2773543

2-(Methylthio)phenylboronic acid

C7H9BO2S

HCID68521862

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：CCOC(=O)c1sc(N)c(C#N)c1-c1ccc(-c2ccccc2SC)cc1

HCID68524048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e719ee29f53429ebce7148b715b74f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([NH2:20])[c:9]([C:18]#[N:19])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([I:17])[cH:15][cH:16]1.[CH3:21][S:22][c:23]1[c:24]([B:29]([OH:30])[OH:31])[cH:25][cH:26][cH:27][cH:28]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([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)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[s:7][c:8]([NH2:20])[c:9]([C:18]#[N:19])[c:10]1-[c:11]1[cH:12][cH:13][c:14](-[c:24]2[c:23]([S:22][CH3:21])[cH:28][cH:27][cH:26][cH:25]2)[cH:15][cH:16]1