HRID145110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID20228619

2-(Morpholin-4-yl)pyrimidin-4-amine

C8H12N4O

HCID59379801

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=O)c1ccc(Nc2ccnc(N3CCOCC3)n2)c2ccccc12

HCID59379827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0bd672980b346029cf0559b2583be05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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