HRID2310268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2774010

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C9H15BN2O2

HCID4574913

未命名化合物

结构：CCN(CC)CCNS(=O)(=O)c1ccc(Nc2ncc(Br)n3ccnc23)cc1

HCID86652626

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：CCN(CC)CCNS(=O)(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1

HCID24857258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1af7f6da2f843d1b9aad5d4899d9bc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][CH2:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[cH:16][cH:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2.[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][n:39][nH:40][cH:41]2)[O:42]1.[CH3:43][C:44]([CH3:45])([O-:46])[CH3:47].[Na+:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:37]2[cH:38][n:39][nH:40][cH:41]2)[cH:3][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[NH:21][CH2:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[cH:16][cH:17]2)[c:6]2[n:7]1[cH:8][cH:9][n:10]2