HRID2138527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID57600286

未命名化合物

HCID178446166

未命名化合物

PRODUCTS

生成物

结构：CCCCCn1c(=NNC(=O)CCCn2cc(-c3ccccc3)cn2)[nH]c(=O)c2[nH]cnc21

HCID178446156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e161ac19037a4cd3adfed47da8c0b7fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:18]([CH2:19][CH2:20][CH2:21][CH3:22])[n:23]1[c:24](=[N:33][NH2:34])[nH:25][c:26](=[O:32])[c:27]2[nH:28][cH:29][n:30][c:31]12.[CH2:62]([N:63]([CH2:64][CH3:65])[CH2:66][CH3:67])[CH3:68].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[c:1]1(-[c:7]2[cH:8][n:9][n:10]([CH2:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:42]1([O:43][P+:44]([N:45]([CH3:46])[CH3:47])([N:48]([CH3:49])[CH3:50])[N:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[c:1]1(-[c:7]2[cH:8][n:9][n:10]([CH2:12][CH2:13][CH2:14][C:15](=[O:17])[NH:34][N:33]=[c:24]3[n:23]([CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[c:31]4[c:27]([c:26](=[O:32])[nH:25]3)[nH:28][cH:29][n:30]4)[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1