HRID86434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

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(S(=O)(=O)n2cc(C3CCCCC3)c3ccccc32)cc1

HCID58975217

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(C3CCCCC3)c3ccccc32)cc1

HCID58975224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd0aaa4f178342bda8e904d72a9dfe21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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