HRID94041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2734354

(2-Fluorophenyl)boronato(2-)

C6H6BFO2

结构：Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1

HCID6918689

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(S(=O)(=O)c2cc(-c3ccccc3F)nc(N3CCCC3)c2)cc1

HCID19605475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09df4800020f43f1aeca7f9a3842ca6b
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:1][c:2]1[n:3][c:4]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][c:6]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([NH2:17])[cH:15][cH:16]2)[cH:7]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[F:23][c:24]1[c:25]([B:30]([OH:31])[OH:32])[cH:26][cH:27][cH:28][cH:29]1.[K+:44].[K+:45].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([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)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([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)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1(-[c:25]2[c:24]([F:23])[cH:29][cH:28][cH:27][cH:26]2)[n:3][c:4]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:5][c:6]([S:8](=[O:9])(=[O:10])[c:11]2[cH:12][cH:13][c:14]([NH2:17])[cH:15][cH:16]2)[cH:7]1