HRID284151

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-

HCID79341

Piperidin-4-ol

C5H11NO

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)O)cc2)c(=O)n(C)c1

HCID24857232

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCC(O)CC3)cc2)c(=O)n(C)c1

HCID11685760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bbbd4a4c1494bb59e5eef5468d0d641
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:36])[c:14](-[c:18]3[cH:19][c:20]([NH:26][c:27]4[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:37][cH:38]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[OH2:78].[OH:71][CH:72]1[CH2:73][CH2:74][NH:75][CH2:76][CH2:77]1.[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]([CH3:50])[CH3:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:36])[c:14](-[c:18]3[cH:19][c:20]([NH:26][c:27]4[cH:28][cH:29][c:30]([C:31](=[O:32])[N:75]5[CH2:74][CH2:73][CH:72]([OH:71])[CH2:77][CH2:76]5)[cH:34][cH:35]4)[c:21](=[O:25])[n:22]([CH3:24])[cH:23]3)[cH:15][cH:16][cH:17]2)[cH:37][cH:38]1