HRID958478

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+

HCID13821101

未命名化合物

结构：COC(=O)NC(CCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1

HCID66621118

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(CCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1

HCID66621108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4927396675fe4b4987d29003d77b0f4c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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