HRID2161935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID64339

Tricyclo(3.3.1.1(sup 3,7))decane-1,3-dicarboxylic acid

C12H16O4

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：O=C(Nc1ccc(N2CCNCC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID52937060

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(N2CCN(C(=O)C34CC5CC(CC(C(=O)O)(C5)C3)C4)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID25122555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-855fa7da815b406cab1791c18e0358ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:32]12([C:45](=[O:46])[OH:47])[CH2:33][C:34]3([C:42](=[O:43])[OH:44])[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]1)[CH2:40]3)[CH2:41]2.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[ClH:31].[N:1]1([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[o:19][c:20]3[C:21]([F:22])([F:23])[F:24])[cH:11][cH:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][P+:64]([N:65]([CH3:66])[CH3:67])([N:68]([CH3:69])[CH3:70])[N:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[o:19][c:20]3[C:21]([F:22])([F:23])[F:24])[cH:11][cH:12]2)[CH2:2][CH2:3][N:4]([C:45]([C:32]23[CH2:33][C:34]4([C:42](=[O:43])[OH:44])[CH2:35][CH:36]([CH2:37][CH:38]([CH2:39]2)[CH2:40]4)[CH2:41]3)=[O:46])[CH2:5][CH2:6]1