HRID1553195

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

HCID22309452

(4-{[(Methanesulfonyl)amino]methyl}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(CNS(C)(=O)=O)cc4)cc32)N=C1N

HCID58423978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3c4dc1a0f6c4f09b228d37ea3556145
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

[C:46](=[O:47])([O-:48])[O-:49].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:25][S:26](=[O:27])(=[O:28])[NH:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[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:34]3[cH:33][cH:32][c:31]([CH2:30][NH:29][S:26]([CH3:25])(=[O:27])=[O:28])[cH:36][cH:35]3)[cH:13][c:14]12