HRID120580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID12263992

2-Amino-6-chloronicotinic acid

C6H5ClN2O2

HCID23130515

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Cl)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1

HCID23130498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-585cbd5a88504a6ba01cbbb6a01a79af
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

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