HRID1537370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1

HCID11618717

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

C29H45P

结构：COc1ccc(Nc2ncc(Cl)cc2-c2nc(C)nc3c2ncn3C2CCCCO2)cn1

HCID59548409

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4c3ncn4C3CCCCO3)c2)cc1

HCID66600577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72ce0b7cc7ae4a899f3eff741c5547c9
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:48]([P:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1-[c:60]1[c:61]([CH:62]([CH3:63])[CH3:64])[cH:65][c:66]([CH:67]([CH3:68])[CH3:69])[cH:70][c:71]1[CH:72]([CH3:73])[CH3:74])([CH3:75])([CH3:76])[CH3:77].[CH2:78]1[O:79][CH2:80][CH2:81][CH2:82]1.[CH3:33][O:34][c:35]1[cH:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]1.[CH3:42][C:43]([CH3:44])([O-:45])[CH3:46].[Cl:1][c:2]1[cH:3][c:4](-[c:17]2[c:18]3[n:19][cH:20][n:21]([CH:27]4[O:28][CH2:29][CH2:30][CH2:31][CH2:32]4)[c:22]3[n:23][c:24]([CH3:26])[n:25]2)[c:5]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:6][cH:7]1.[Na+:47].[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]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]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.[OH2:83].[Pd:84].[Pd:85]>>[c:2]1([NH:41][c:38]2[cH:37][cH:36][c:35]([O:34][CH3:33])[cH:40][cH:39]2)[cH:3][c:4](-[c:17]2[c:18]3[n:19][cH:20][n:21]([CH:27]4[O:28][CH2:29][CH2:30][CH2:31][CH2:32]4)[c:22]3[n:23][c:24]([CH3:26])[n:25]2)[c:5]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:6][cH:7]1