HRID2343113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID10240948

未命名化合物

结构：O=C(O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1Cl

HCID22285923

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(CONC(=O)c2cc(Cl)c(F)c(F)c2Nc2ccc(I)cc2Cl)O1

HCID22286476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c20e30aa9c64f29936b58f0c0d655ea
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

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