HRID207985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

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

HCID23130504

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Cl)ccc1C(=O)NCc1ccc(NCc2ccccc2)cc1

HCID23130610

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffc0abdd08974c478d969114a5d3e757
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[NH2:17][c:18]1[c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24][c:25]([Cl:27])[n:26]1.[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1.[OH2:67].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][P+:37]([N:38]([CH3:39])[CH3:40])([N:41]([CH3:42])[CH3:43])[N:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1)[C:20]([c:19]1[c:18]([NH2:17])[n:26][c:25]([Cl:27])[cH:24][cH:23]1)=[O:21]