HRID95320

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+

结构：CN(C)CC1CCN(C(=O)Nc2cc(Oc3ccc(N)cc3F)ccn2)CC1

HCID23153096

未命名化合物

HCID57470862

1-[[(4-Fluorophenyl)amino]carbonyl]cyclobutanecarboxylic acid

C12H12FNO3

PRODUCTS

生成物

结构：CN(C)CC1CCN(C(=O)Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CCC4)cc3F)ccn2)CC1

HCID59596910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5090c6e9f18d42dcac31f8eafcd7e482
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

[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[F:29][c:30]1[cH:31][cH:32][c:33]([NH:36][C:37](=[O:38])[C:39]2([C:43](=[O:44])[OH:45])[CH2:40][CH2:41][CH2:42]2)[cH:34][cH:35]1.[NH2:1][c:2]1[cH:3][c:4]([F:28])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([CH2:22][N:23]([CH3:24])[CH3:25])[CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:26][cH:27]1.[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][P+:62]([N:63]([CH3:64])[CH3:65])([N:66]([CH3:67])[CH3:68])[N:69]([CH3:70])[CH3:71])[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([CH2:22][N:23]([CH3:24])[CH3:25])[CH2:20][CH2:21]3)[n:10][cH:11][cH:12]2)[cH:26][cH:27]1)[C:43]([C:39]1([C:37]([NH:36][c:33]2[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]2)=[O:38])[CH2:40][CH2:41][CH2:42]1)=[O:44]