HRID187678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

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：COC1(c2nc3c(N4CCOCC4)nc(Cl)nc3n2C)CCCN(C(=O)OC(C)(C)C)C1

HCID59605352

未命名化合物

PRODUCTS

生成物

结构：COC1(c2nc3c(N4CCOCC4)nc(-n4c(C(C)C)nc5ccccc54)nc3n2C)CCCN(C(=O)OC(C)(C)C)C1

HCID59605297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-132853a5a2814fc8bf63eddf234ab9ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([O:14][CH3:15])([c:16]2[n:17]([CH3:32])[c:18]3[n:19][c:20]([Cl:31])[n:21][c:22]([N:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)[c:23]3[n:24]2)[CH2:11][CH2:12][CH2:13]1.[C:45](=[O:46])([O-:47])[O-:48].[CH:33]([CH3:34])([CH3:35])[c:36]1[nH:37][c:38]2[c:39]([n:40]1)[cH:41][cH:42][cH:43][cH:44]2.[Cs+:49].[Cs+:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:57].[Pd:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([O:14][CH3:15])([c:16]2[n:17]([CH3:32])[c:18]3[n:19][c:20](-[n:37]4[c:36]([CH:33]([CH3:34])[CH3:35])[n:40][c:39]5[c:38]4[cH:44][cH:43][cH:42][cH:41]5)[n:21][c:22]([N:25]4[CH2:26][CH2:27][O:28][CH2:29][CH2:30]4)[c:23]3[n:24]2)[CH2:11][CH2:12][CH2:13]1