HRID2312595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID59344938

未命名化合物

结构：O=C(O)C(CC1CCCCC1)N1CC(Oc2c(F)ccc(Cl)c2F)=CC1=O

HCID66900059

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)Cn1ccc(NC(=O)C(CC2CCCCC2)N2CC(Oc3c(F)ccc(Cl)c3F)=CC2=O)n1

HCID66899151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b839798c5d74b2aaac0147c1cd0d0f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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