HRID321502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID57488846

未命名化合物

结构：CCOC(=O)c1ccc(-c2ccc(C(CN3CCOCC3)NC)cc2)cc1

HCID76542579

Ethyl 4-[4-[1-(methylamino)-2-morpholin-4-ylethyl]phenyl]benzoate

C22H28N2O3

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN3C(=O)COc4cc(Cl)c(Cl)cc43)cc2)cc1

HCID178468727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ac75e2d4e14017857e930d35c31c50
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

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