HRID663401

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

HCID2773375

4-(N,N-Diethylaminocarbonyl)phenylboronic acid

C11H16BNO3

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：CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)cc1

HCID58424243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02243aaaeff242c8b5abc780fff2ac35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:47](=[O:48])([O-:49])[O-:50].[CH2:25]([CH3:26])[N:27]([C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1)[CH2:39][CH3:40].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[Cs+:51].[Cs+:52].[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:53]([Cl:54])[Cl:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]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]([C:28]([N:27]([CH2:25][CH3:26])[CH2:39][CH3:40])=[O:29])[cH:35][cH:34]3)[cH:13][c:14]12