HRID1140742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：Cc1nc2ccc(Br)cc2c(N2CCOCC2)c1S(C)(=O)=O

HCID12001810

未命名化合物

HCID12982400

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc(C3CC3c3ccccc3)cc2c(N2CCOCC2)c1S(C)(=O)=O

HCID73174903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d0b019c043b44bf97d92dba48fcc12e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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