HRID675644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6341

Ethanamine

C2H7N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

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+

结构：O=C(O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1F

HCID59216339

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1F

HCID53247293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0511be92d10486e9293af919498d432
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:77]([Cl:78])[Cl:79].[CH3:33][CH2:34][NH2:35].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9](-[c:11]2[cH:12][n:13][c:14]3[n:15]([n:16]2)[c:17]([C:20]2([c:23]4[cH:24][c:25]5[cH:26][cH:27][cH:28][n:29][c:30]5[cH:31][cH:32]4)[CH2:21][CH2:22]2)[n:18][n:19]3)[cH:10]1.[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]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:1][c:2]1[c:3]([C:4](=[O:5])[NH:35][CH2:34][CH3:33])[cH:7][cH:8][c:9](-[c:11]2[cH:12][n:13][c:14]3[n:15]([n:16]2)[c:17]([C:20]2([c:23]4[cH:24][c:25]5[cH:26][cH:27][cH:28][n:29][c:30]5[cH:31][cH:32]4)[CH2:21][CH2:22]2)[n:18][n:19]3)[cH:10]1