HRID2312291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID44119328

[4-(Dimethylsulfamoyl)phenyl]boronic acid

C8H12BNO4S

结构：CN1C(=O)C2(CC(c3ccccc3)Oc3ccc(Br)cc32)N=C1N

HCID58423768

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4ccc(S(=O)(=O)N(C)C)cc4)cc32)N=C1N

HCID58424347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3ecfd777d79478a82582b83dcf197cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:25][N:26]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1)[CH3:39].[Cs+:50].[Cs+:51].[NH2:1][C:2]1=[N:22][C:5]2([C:4](=[O:23])[N:3]1[CH3:24])[CH2:6][CH:7]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:8][c:9]1[cH:10][cH:11][c:12]([Br:15])[cH:13][c:14]12.[Pd:52]([Cl:53])[Cl:54].[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[NH2:1][C:2]1=[N:22][C:5]2([C:4](=[O:23])[N:3]1[CH3:24])[CH2:6][CH:7]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:33]3[cH:32][cH:31][c:30]([S:27]([N:26]([CH3:25])[CH3:39])(=[O:28])=[O:29])[cH:35][cH:34]3)[cH:13][c:14]12