HRID318079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID22562205

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

C11H20N2O2

HCID41601149

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CCN(c3cncc(C(=O)Nc4cc(F)cc(F)c4)c3)C2C1

HCID67265700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93c13f115935437b9b6afb746bf20d90
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:16][c:17]1[cH:18][n:19][cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]2[cH:26][c:27]([F:32])[cH:28][c:29]([F:31])[cH:30]2)[cH:33]1.[C:76](=[O:77])([O-:78])[O-:79].[Cs+:80].[Cs+:81].[NH:1]1[CH:2]2[CH:3]([CH2:4][CH2:5]1)[CH2:6][N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]2.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[c:43]3[c:67]([cH:68][cH:69][cH:70]2)[C:64]([CH3:65])([CH3:66])[c:46]2[c:45]([c:50]([P:51]([c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[cH:49][cH:48][cH:47]2)[O:44]3)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[N:1]1([c:17]2[cH:18][n:19][cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[cH:26][c:27]([F:32])[cH:28][c:29]([F:31])[cH:30]3)[cH:33]2)[CH:2]2[CH:3]([CH2:4][CH2:5]1)[CH2:6][N:7]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:8]2