HRID106296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID59611013

未命名化合物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C

HCID66620477

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)ccc4c3)cc2)[nH]1)=C1CCOCC1

HCID66620834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7b082b841c541e6bbc6c7a663048ba8
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

[CH3:104][CH2:105][O:106][C:107](=[O:108])[CH3:109].[CH3:1][O:2][C:3](=[O:4])[NH:5][C:6]([C:7](=[O:8])[OH:9])=[C:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1.[CH3:43][O:44][C:45]([NH:46][CH:47]([CH:48]([CH3:49])[CH3:50])[C:51](=[O:52])[N:53]1[CH:54]([c:58]2[nH:59][c:60](-[c:63]3[cH:64][c:65]4[cH:66][cH:67][c:68](-[c:73]5[cH:74][cH:75][c:76](-[c:79]6[nH:80][c:81]([CH:84]7[NH:85][CH2:86][CH2:87][CH2:88]7)[n:82][cH:83]6)[cH:77][cH:78]5)[cH:69][c:70]4[cH:71][cH:72]3)[cH:61][n:62]2)[CH2:55][CH2:56][CH2:57]1)=[O:89].[CH3:99][N:100]([CH3:101])[CH:102]=[O:103].[CH:90]([N:91]([CH:92]([CH3:93])[CH3:94])[CH2:95][CH3:96])([CH3:97])[CH3:98].[ClH:40].[ClH:41].[ClH:42].[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][O:2][C:3](=[O:4])[NH:5][C:6]([C:7](=[O:9])[N:85]1[CH:84]([c:81]2[nH:80][c:79](-[c:76]3[cH:75][cH:74][c:73](-[c:68]4[cH:67][cH:66][c:65]5[cH:64][c:63](-[c:60]6[nH:59][c:58]([CH:54]7[N:53]([C:51]([CH:47]([NH:46][C:45]([O:44][CH3:43])=[O:89])[CH:48]([CH3:49])[CH3:50])=[O:52])[CH2:57][CH2:56][CH2:55]7)[n:62][cH:61]6)[cH:72][cH:71][c:70]5[cH:69]4)[cH:78][cH:77]3)[cH:83][n:82]2)[CH2:88][CH2:87][CH2:86]1)=[C:10]1[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1