HRID115928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

结构：COc1ccc(S(=O)(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)cnc2Cl)cc1

HCID57416510

N-[2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-4-methoxybenzene-1-sulfonamide

C18H22BClN2O5S

HCID77231509

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：COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)C)sc4c3)cnc2Cl)cc1

HCID57585108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-691e04398be44824b5dde80bd25cafc8
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:7][c:8]1[cH:9][c:10]2[c:11]([n:12][c:13]([NH:15][CH:16]([CH3:17])[CH3:18])[s:14]2)[cH:19][cH:20]1.[CH3:126][CH2:127][OH:128].[Cl:21][c:22]1[n:23][cH:24][c:25]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:26][c:27]1[NH:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[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:8]1(-[c:25]2[cH:24][n:23][c:22]([Cl:21])[c:27]([NH:28][S:29](=[O:30])(=[O:31])[c:32]3[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]3)[cH:26]2)[cH:9][c:10]2[c:11]([n:12][c:13]([NH:15][CH:16]([CH3:17])[CH3:18])[s:14]2)[cH:19][cH:20]1