HRID187188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

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

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(Cl)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID66611967

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(-c4cnn(C)c4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID66599854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b75076fba5804ba797ba2bc80264b9ee
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

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