HRID118044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID19854815

5-Bromo-N,N-diethylpyridine-3-sulfonamide

C9H13BrN2O2S

HCID22733820

(1-Methyl-1H-indol-2-yl)boronic acid

C9H10BNO2

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)S(=O)(=O)c1cncc(-c2cc3ccccc3n2C)c1

HCID58215618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0eb6858df634632a307b0e0271840ef
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:14][c:15]1[cH:16][c:17]([S:21](=[O:22])(=[O:23])[N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[cH:18][n:19][cH:20]1.[CH2:120]1[O:121][CH2:122][CH2:123][O:124][CH2:125]1.[CH3:1][n:2]1[c:3]([B:11]([OH:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[K+:31].[K+:32].[N:29]#[N:30].[O-:33][C:34]([O-:35])=[O:36].[O:115]=[CH:116][N:117]([CH3:118])[CH3:119].[OH2:37].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([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)([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)[cH:113][cH:114]1>>[CH3:1][n:2]1[c:3](-[c:15]2[cH:16][c:17]([S:21](=[O:22])(=[O:23])[N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[cH:18][n:19][cH:20]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12