HRID1574648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID34005

2-Thiophenemethylamine

C5H7NS

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)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1

HCID1111160

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccs1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1

HCID1220676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63b8bae1386b49efa4cbab9f28ae430d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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