HRID147731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

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

HCID2758248

未命名化合物

结构：CC(C)(NC(=O)c1ccc(Br)c(OCC(F)(F)F)n1)c1nccs1

HCID71113132

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC(F)(F)F)n1)c1nccs1

HCID71093535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d271ed41ed8e4bbcbbabd796cc5531ae
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].[CH3:1][C:2]([CH3:3])([c:4]1[s:5][cH:6][cH:7][n:8]1)[NH:9][C:10](=[O:11])[c:12]1[n:13][c:14]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])[c:15]([Br:18])[cH:16][cH:17]1.[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[ClH:25].[Cs+:82].[Cs+:83].[F:26][C:27]1([F:31])[CH2:28][NH:29][CH2:30]1.[O-:92][C:93]([CH3:94])=[O:95].[O-:96][C:97]([CH3:98])=[O:99].[Pd+2:91].[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>>[CH3:1][C:2]([CH3:3])([c:4]1[s:5][cH:6][cH:7][n:8]1)[NH:9][C:10](=[O:11])[c:12]1[n:13][c:14]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])[c:15]([N:29]2[CH2:28][C:27]([F:26])([F:31])[CH2:30]2)[cH:16][cH:17]1