HRID1536385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

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

HCID69362346

未命名化合物

HCID86648830

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(N2CCC(NC(=O)OCc3ccccc3)C(OC)C2)cc1C=O

HCID87445442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49caf9f0b27c4598a2ba87ef249b7d98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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