HRID1137778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

结构：O=C(O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21

HCID58788314

未命名化合物

结构：CC(C)(C)OC(=O)C(C)(C)N1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

HCID59264605

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1

HCID67541837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22a844f47b3b43d6bdb2c8d37b8bddc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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