HRID87039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID136927

2-Methyl-2H-pyrazol-3-ylamine

C4H7N3

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID86655137

未命名化合物

PRODUCTS

生成物

结构：CN1CCc2cccc(Nc3cc(Nc4ccnn4C)ncc3Cl)c2C1=O

HCID44609040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3e9bb2515404e48804072548ccc27b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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