HRID103326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

结构：CC(C)Cc1cc(-c2cccc(Cn3ccnc3Br)c2)c(S(=O)(=O)NC(C)(C)C)s1

HCID67132971

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：CC(C)Cc1cc(-c2cccc(Cn3ccnc3-c3cccs3)c2)c(S(=O)(=O)NC(C)(C)C)s1

HCID67132845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-714279e8924c495fba7549056119457a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3]([CH2:7][c:8]2[cH:9][c:10](-[c:14]3[c:15]([S:23](=[O:24])(=[O:25])[NH:26][C:27]([CH3:28])([CH3:29])[CH3:30])[s:16][c:17]([CH2:19][CH:20]([CH3:21])[CH3:22])[cH:18]3)[cH:11][cH:12][cH:13]2)[cH:4][cH:5][n:6]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][OH:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Na+:40].[OH-:39].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[P:101]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1.[s:31]1[c:32]([B:36]([OH:37])[OH:38])[cH:33][cH:34][cH:35]1>>[c:2]1(-[c:32]2[s:31][cH:35][cH:34][cH:33]2)[n:3]([CH2:7][c:8]2[cH:9][c:10](-[c:14]3[c:15]([S:23](=[O:24])(=[O:25])[NH:26][C:27]([CH3:28])([CH3:29])[CH3:30])[s:16][c:17]([CH2:19][CH:20]([CH3:21])[CH3:22])[cH:18]3)[cH:11][cH:12][cH:13]2)[cH:4][cH:5][n:6]1