HRID300731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID20696625

2-Chloro-1,7-naphthyridine

C8H5ClN2

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3ccccc3N)ccc2C(C)(C)C1

HCID69510706

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3ccccc3Nc3ccc4ccncc4n3)ccc2C(C)(C)C1

HCID69511258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c346503e0b2d48f9b0aef6edcf58be6f
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21]([c:22]3[c:23]([NH2:28])[cH:24][cH:25][cH:26][cH:27]3)=[O:29])[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1.[Cl:30][c:31]1[n:32][c:33]2[cH:34][n:35][cH:36][cH:37][c:38]2[cH:39][cH:40]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Pd:41].[Pd:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]([NH:20][C:21]([c:22]3[c:23]([NH:28][c:31]4[n:32][c:33]5[cH:34][n:35][cH:36][cH:37][c:38]5[cH:39][cH:40]4)[cH:24][cH:25][cH:26][cH:27]3)=[O:29])[cH:13][cH:14][c:15]2[C:16]([CH3:18])([CH3:19])[CH2:17]1