HRID1210029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6213

Dimethyl sulfone

C2H6O2S

HCID2734374

5-Methylthiophene-2-boronic acid

C5H7BO2S

结构：COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(Br)ccc2c1

HCID58338563

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：COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C)s3)ccc2c1

HCID58338555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1422c2475c364f20b37bb11dd45a3dcd
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

[Br:1][c:2]1[c:3]([O:14][c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:28][cH:29]2)[c:4]2[cH:5][cH:6][c:7]([O:12][CH3:13])[cH:8][c:9]2[cH:10][cH:11]1.[CH3:30][c:31]1[cH:32][cH:33][c:34]([B:36]([OH:37])[OH:38])[s:35]1.[CH3:39][S:40]([CH3:41])(=[O:42])=[O:43].[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>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([CH3:30])[s:35]2)[c:3]([O:14][c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:28][cH:29]2)[c:4]2[cH:5][cH:6][c:7]([O:12][CH3:13])[cH:8][c:9]2[cH:10][cH:11]1