HRID1559172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID5151595

2-Chloro-4-pyridylboronic acid

C5H5BClNO2

反应SMILES：Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1

HCID21669155

3-Bromo-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

C14H11BrN2O2S

反应SMILES：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

产物

反应SMILES：Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(Cl)c3)c3cccnc32)cc1

HCID57598028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-122b890443a04ed99ed2acc7931ff212
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:1][c:2]1[cH:3][n:4]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[c:5]2[n:6][cH:7][cH:8][cH:9][c:10]12.[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:21][c:22]1[n:23][cH:24][cH:25][c:26]([B:28]([OH:29])[OH:30])[cH:27]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[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:2]1(-[c:26]2[cH:25][cH:24][n:23][c:22]([Cl:21])[cH:27]2)[cH:3][n:4]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[c:5]2[n:6][cH:7][cH:8][cH:9][c:10]12