HRID1206772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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+

HCID68716919

未命名化合物

结构：CC(NC(=O)C1(O)CC=C(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F

HCID76624627

未命名化合物

结构：CC(N)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F

HCID178463406

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1(O)CCC(F)(F)CC1)c1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F

HCID45109907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02fe1a9c45ec44f7ba70cb1210e3d4a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:107][CH2:108][O:109][C:110]([CH3:111])=[O:112].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[Cl:104][CH2:105][Cl:106].[Cl:1][c:2]1[cH:3][c:4]([F:5])[c:6](-[c:7]2[n:8][n:9][n:10]([CH3:11])[n:12]2)[c:13](-[c:14]2[cH:15][c:16]([F:17])[c:18]([CH:19]([NH2:20])[CH3:21])[n:22][cH:23]2)[cH:24]1.[Cl:70][c:71]1[cH:72][c:73]([F:103])[c:74](-[c:97]2[n:98][n:99][n:100]([CH3:102])[n:101]2)[c:75](-[c:77]2[cH:78][c:79]([F:96])[c:80]([CH:83]([CH3:84])[NH:85][C:86](=[O:87])[C:88]3([OH:95])[CH2:89][CH:90]=[C:91]([F:94])[CH2:92][CH2:93]3)[n:81][cH:82]2)[cH:76]1.[F:25][C:26]1=[CH:35][CH2:34][C:29]([OH:30])([C:31]([OH:32])=[O:33])[CH2:28][CH2:27]1.[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][P+:45]([N:46]([CH3:47])[CH3:48])([N:49]([CH3:50])[CH3:51])[N:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:17][C:91]1([F:94])[CH2:90][CH2:89][C:88]([C:86]([NH:85][CH:83]([c:80]2[c:79]([F:96])[cH:78][c:77](-[c:75]3[c:74](-[c:97]4[n:98][n:99][n:100]([CH3:102])[n:101]4)[c:73]([F:103])[cH:72][c:71]([Cl:70])[cH:76]3)[cH:82][n:81]2)[CH3:84])=[O:87])([OH:95])[CH2:93][CH2:92]1