HRID1225200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CC(C)C1(C(=O)O)CCC(NC(=O)OC(C)(C)C)C1

HCID23533517

未命名化合物

HCID52987742

4-(Piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

C9H11F3N4

PRODUCTS

生成物

结构：CC(C)C1(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)CCC(NC(=O)OC(C)(C)C)C1

HCID178439754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8119b478acc242cabae3afe477ca60e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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