HRID184938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID79304

Methanone, diphenyl-, hydrazone

C13H12N2

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

HCID1991128

2-Chloro-4-methoxypyridine

C6H6ClNO

PRODUCTS

生成物

HCID59186968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecacd802326f4a3b9b92c764aa814cb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[N:23][NH2:24].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1.[O-:88][C:89]([CH3:90])=[O:91].[O-:92][C:93]([CH3:94])=[O:95].[OH2:96].[OH:25][B:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[OH:33].[Pd+2:87].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[c:51]2-[c:52]2[c:53]3[c:54]([cH:55][cH:56][cH:57][cH:58]3)[cH:59][cH:60][c:61]2[P:62]([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][cH:77][cH:78][cH:79]1>>[c:2]1([NH:24][N:23]=[C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:3][cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1