HRID294847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2774938

4-Chloro-5-methoxy-2-methylpyridazin-3(2H)-one

C6H7ClN2O2

HCID4100862

2-Ethylphenylboronic acid

C8H11BO2

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

HCID57437317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-244d913aaab84d96a74adf3e4a12e082
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:35].[CH2:12]([CH3:13])[c:14]1[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1.[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[CH3:36][CH2:37][CH2:38][CH2:39][N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52].[Cl:1][c:2]1[c:3](=[O:11])[n:4]([CH3:10])[n:5][cH:6][c:7]1[O:8][CH3:9].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:130].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:15]2[c:14]([CH2:12][CH3:13])[cH:19][cH:18][cH:17][cH:16]2)[c:3](=[O:11])[n:4]([CH3:10])[n:5][cH:6][c:7]1[O:8][CH3:9]