HRID168162

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-

HCID2756219

未命名化合物

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCC1)CC(F)(F)C(=O)N2C

HCID58015075

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccc1Nc1ncc2c(n1)N(C1CCC1)CC(F)(F)C(=O)N2C

HCID67076240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-813426f73a824c3a901a378d874fb06f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][N:40]([C:41](=[N+:42]([CH3:43])[CH3:44])[O:45][n:46]1[c:47]2[n:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1)[CH3:55].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[CH3:94][N:95]([CH3:96])[CH:97]=[O:98].[CH:1]1([N:5]2[c:6]3[c:7]([cH:16][n:17][c:18]([NH:20][c:21]4[c:22]([O:30][CH3:31])[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]4)[n:19]3)[N:8]([CH3:15])[C:9](=[O:14])[C:10]([F:12])([F:13])[CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[ClH:63].[F:56][P-:57]([F:58])([F:59])([F:60])([F:61])[F:62].[cH:64]1[cH:65][cH:66][cH:67][c:68]2[c:76]1[CH:75]([CH2:77][O:78][C:79]([NH:80][CH:81]1[CH2:82][CH2:83][NH:84][CH2:85][CH2:86]1)=[O:87])[c:74]1[c:69]-2[cH:70][cH:71][cH:72][cH:73]1>>[CH:1]1([N:5]2[c:6]3[c:7]([cH:16][n:17][c:18]([NH:20][c:21]4[c:22]([O:30][CH3:31])[cH:23][c:24]([C:25](=[O:26])[N:84]5[CH2:83][CH2:82][CH:81]([NH:80][C:79]([O:78][CH2:77][CH:75]6[c:74]7[c:69]([cH:70][cH:71][cH:72][cH:73]7)-[c:68]7[cH:67][cH:66][cH:65][cH:64][c:76]76)=[O:87])[CH2:86][CH2:85]5)[cH:28][cH:29]4)[n:19]3)[N:8]([CH3:15])[C:9](=[O:14])[C:10]([F:12])([F:13])[CH2:11]2)[CH2:2][CH2:3][CH2:4]1