HRID1240879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID67868

3-Iodobenzotrifluoride

C7H4F3I

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

结构：CNc1nccc(-c2cccnc2Oc2ccc(N3CCNC3=O)cc2C)n1

HCID66970567

未命名化合物

PRODUCTS

生成物

结构：CNc1nccc(-c2cccnc2Oc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)cc2C)n1

HCID58588330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b681e0ced54746ee8b1bcdbf842dea78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:82](=[O:83])([O-:84])[O-:85].[CH3:1][c:2]1[cH:3][c:4]([N:23]2[C:24](=[O:28])[NH:25][CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][cH:12][cH:13][c:14]1-[c:15]1[n:16][c:17]([NH:21][CH3:22])[n:18][cH:19][cH:20]1.[CH3:40][C:41]1([CH3:42])[c:43]2[cH:44][cH:45][cH:46][c:47]([P:48]([c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[c:55]3[cH:56][cH:57][cH:58][cH:59][cH:60]3)[c:61]2[O:62][c:63]2[c:64]1[cH:65][cH:66][cH:67][c:68]2[P:69]([c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Cl:94][CH2:95][Cl:96].[Cs+:86].[Cs+:87].[I:29][c:30]1[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]1.[O-:102][C:103]([CH3:104])=[O:105].[O-:98][C:99]([CH3:100])=[O:101].[O:88]1[CH2:89][CH2:90][O:91][CH2:92][CH2:93]1.[Pd+2:97]>>[CH3:1][c:2]1[cH:3][c:4]([N:23]2[C:24](=[O:28])[N:25]([c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)[CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1[O:8][c:9]1[n:10][cH:11][cH:12][cH:13][c:14]1-[c:15]1[n:16][c:17]([NH:21][CH3:22])[n:18][cH:19][cH:20]1