HRID144499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID947

Nitrogen

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID22025617

2-Fluoro-4-(methylsulfanyl)aniline

C7H8FNS

HCID57886211

Methyl 4-chloro-1,6-dihydro-1-methyl-6-oxo-3-pyridazinecarboxylate

C7H7ClN2O3

PRODUCTS

生成物

HCID66673411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8a4978f4b214d51a5e4f6e00f0fb755
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

[C:70](=[O:71])([O-:72])[O-:73].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH3:85][CH2:86][O:87][C:88]([CH3:89])=[O:90].[Cl:1][c:2]1[c:3]([C:10](=[O:11])[O:12][CH3:13])[n:4][n:5]([CH3:9])[c:6](=[O:8])[cH:7]1.[Cs+:74].[Cs+:75].[F:14][c:15]1[c:16]([NH2:17])[cH:18][cH:19][c:20]([S:22][CH3:23])[cH:21]1.[N:76]#[N:77].[O-:92][C:93]([CH3:94])=[O:95].[O-:96][C:97]([CH3:98])=[O:99].[Pd+2:91].[cH:24]1[cH:25][cH:26][c:27]([P:28]([c:29]2[cH:30][cH:31][c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[c:38]2-[c:39]2[c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[cH:46][cH:47][c:48]2[P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69]1>>[c:2]1([NH:17][c:16]2[c:15]([F:14])[cH:21][c:20]([S:22][CH3:23])[cH:19][cH:18]2)[c:3]([C:10](=[O:11])[O:12][CH3:13])[n:4][n:5]([CH3:9])[c:6](=[O:8])[cH:7]1