HRID699722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2794681

3-(2-thienyl)aniline

C10H9NS

HCID22478880

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NCc2ccc(C(=O)Nc3cccc(-c4cccs4)c3)cc2)cc1OC

HCID59736708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3d9a5be63af4b8db8e2dfbfeda938fb
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

[CH3:13][O:14][c:15]1[cH:16][c:17]([NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]2)[cH:18][cH:19][c:20]1[O:21][CH3:22].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[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.[s:1]1[c:2](-[c:6]2[cH:7][c:8]([NH2:12])[cH:9][cH:10][cH:11]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2](-[c:6]2[cH:7][c:8]([NH:12][C:29]([c:28]3[cH:27][cH:26][c:25]([CH2:24][NH:23][c:17]4[cH:16][c:15]([O:14][CH3:13])[c:20]([O:21][CH3:22])[cH:19][cH:18]4)[cH:33][cH:32]3)=[O:30])[cH:9][cH:10][cH:11]2)[cH:3][cH:4][cH:5]1