HRID310750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

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

HCID19100952

Ethyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

C9H16N2O2

HCID68496838

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CC2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)C2C1

HCID178473303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8a584825faa4f5f870bd23dd72a3010
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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