HRID961552

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+

HCID72320932

未命名化合物

结构：COCC1CNC(c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6nc(C7CCCN7C(=O)C(NC(=O)OC)c7ccccc7)[nH]c65)cc3-4)[nH]2)C1

HCID178494589

未命名化合物

PRODUCTS

生成物

结构：COCC1CC(c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6nc(C7CCCN7C(=O)C(NC(=O)OC)c7ccccc7)[nH]c65)cc3-4)[nH]2)N(C(=O)C(NC(=O)OC)C(C)OC)C1

HCID178494479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b50d28c3aa74ab6b13d2458aa468aff
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][CH2:3][CH:4]1[CH2:5][CH:6]([c:9]2[nH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([cH:19]3)[CH2:20][O:21][c:22]3[c:23]-4[cH:24][c:25]4[cH:26][cH:27][c:28]5[c:29]([nH:30][c:31]([CH:33]6[N:34]([C:38]([CH:39]([c:40]7[cH:41][cH:42][cH:43][cH:44][cH:45]7)[NH:46][C:47]([O:48][CH3:49])=[O:50])=[O:51])[CH2:35][CH2:36][CH2:37]6)[n:32]5)[c:52]4[cH:53]3)[cH:12][n:13]2)[NH:7][CH2:8]1.[CH3:54][O:55][CH:56]([CH:57]([C:58](=[O:59])[OH:60])[NH:61][C:62](=[O:63])[O:64][CH3:65])[CH3:66].[CH:91]([N:92]([CH2:93][CH3:94])[CH:95]([CH3:96])[CH3:97])([CH3:98])[CH3:99].[O:100]=[CH:101][N:102]([CH3:103])[CH3:104].[P-:67]([F:68])([F:69])([F:70])([F:71])([F:72])[F:73].[n:74]1([O:75][C:76]([N:77]([CH3:78])[CH3:79])=[N+:80]([CH3:81])[CH3:82])[c:83]2[n:84][cH:85][cH:86][cH:87][c:88]2[n:89][n:90]1>>[CH3:1][O:2][CH2:3][CH:4]1[CH2:5][CH:6]([c:9]2[nH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]4[c:18]([cH:19]3)[CH2:20][O:21][c:22]3[c:23]-4[cH:24][c:25]4[cH:26][cH:27][c:28]5[c:29]([nH:30][c:31]([CH:33]6[N:34]([C:38]([CH:39]([c:40]7[cH:41][cH:42][cH:43][cH:44][cH:45]7)[NH:46][C:47]([O:48][CH3:49])=[O:50])=[O:51])[CH2:35][CH2:36][CH2:37]6)[n:32]5)[c:52]4[cH:53]3)[cH:12][n:13]2)[N:7]([C:58]([CH:57]([CH:56]([O:55][CH3:54])[CH3:66])[NH:61][C:62](=[O:63])[O:64][CH3:65])=[O:59])[CH2:8]1