HRID1536511

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

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

HCID18699815

1,1-Dimethylethyl 3-[(2-aminoacetyl)amino]-1-azetidinecarboxylate

C10H19N3O3

HCID58562677

1-Chloro-7-(trifluoromethyl)isoquinoline

C10H5ClF3N

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(NC(=O)CNc2nccc3ccc(C(F)(F)F)cc23)C1

HCID68003851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b2672226e89463fb7011e8e0d8be730
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

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