HRID162045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID93898

4-Chloro-2-fluoroaniline

C6H5ClFN

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC(=O)OCC1OC(n2cnc3c(Cl)nc(Cl)nc32)C(OC(C)=O)C1OC(C)=O

HCID253642

2,6-Dichloro-9-(2,3,5-tri-O-acetylpentofuranosyl)-9H-purine

C16H16Cl2N4O7

结构：c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1

HCID4285986

[Oxydi(2,1-phenylene)]bis(diphenylphosphane)

C36H28OP2

PRODUCTS

生成物

结构：CC(=O)OCC1OC(n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc32)C(OC(C)=O)C1OC(C)=O

HCID23448902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee3e859c633342b18600cd7ba2ecf1ad
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:78](=[O:79])([O-:80])[O-:81].[C:91]([O-:92])(=[O:93])[CH3:94].[C:96]([O-:97])(=[O:98])[CH3:99].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Cl:1][c:2]1[n:3][c:4]([Cl:29])[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][C:14]([CH3:15])=[O:16])[CH:17]([O:18][C:19]([CH3:20])=[O:21])[CH:22]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[O:23]3)[c:9]2[n:10]1.[Cl:30][c:31]1[cH:32][c:33]([F:38])[c:34]([NH2:35])[cH:36][cH:37]1.[Cs+:82].[Cs+:83].[Pd+2:95].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[O:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[Cl:1][c:2]1[n:3][c:4]([NH:35][c:34]2[c:33]([F:38])[cH:32][c:31]([Cl:30])[cH:37][cH:36]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][C:14]([CH3:15])=[O:16])[CH:17]([O:18][C:19]([CH3:20])=[O:21])[CH:22]([CH2:24][O:25][C:26]([CH3:27])=[O:28])[O:23]3)[c:9]2[n:10]1