HRID679536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID2734615

4-Aminophenylboronic acid

C6H8BNO2

HCID59379943

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：CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(N)cc2)n1

HCID59380039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45a542e06ecf4356a7f7520148deae66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:107]1[O:108][CH2:109][CH2:110][O:111][CH2:112]1.[CH3:1][S:2][c:3]1[n:4][c:5]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:6][c:7]([CH2:9][S:10](=[O:11])(=[O:12])[CH3:13])[n:8]1.[NH2:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([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)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[c:3]1(-[c:24]2[cH:23][cH:22][c:21]([NH2:20])[cH:26][cH:25]2)[n:4][c:5]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:6][c:7]([CH2:9][S:10](=[O:11])(=[O:12])[CH3:13])[n:8]1