HRID1138452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID59447718

未命名化合物

HCID59448221

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(C)nc(NC2CCCC(C(=O)NCc3ccc(Br)cc3OC(F)(F)F)C2)n1

HCID67493268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8121da8310ef4b738ccbf5f9c0dbadb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([O:10][C:11]([F:12])([F:13])[F:14])[c:5]([CH2:8][NH2:9])[cH:6][cH:7]1.[CH3:15][c:16]1[n:17][c:18]([NH:24][CH:25]2[CH2:26][CH:27]([C:31](=[O:32])[OH:33])[CH2:28][CH2:29][CH2:30]2)[n:19][c:20]([NH:22][CH3:23])[n:21]1.[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:61]([N:62]([CH:63]([CH3:64])[CH3:65])[CH2:66][CH3:67])([CH3:68])[CH3:69].[OH2:75].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][P+:43]([N:44]([CH3:45])[CH3:46])([N:47]([CH3:48])[CH3:49])[N:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Br:1][c:2]1[cH:3][c:4]([O:10][C:11]([F:12])([F:13])[F:14])[c:5]([CH2:8][NH:9][C:31]([CH:27]2[CH2:26][CH:25]([NH:24][c:18]3[n:17][c:16]([CH3:15])[n:21][c:20]([NH:22][CH3:23])[n:19]3)[CH2:30][CH2:29][CH2:28]2)=[O:32])[cH:6][cH:7]1