HRID2131209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID3024915

N-(2,2-dimethoxyethyl)cyclohexanamine

C10H21NO2

HCID4641409

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

C10H15N6O+

结构：CC(C)c1nc(C(=O)N2CCOC3(CN(CCc4cccc(CCOCCC(=O)O)c4)C3)C2)cs1

HCID58168617

未命名化合物

PRODUCTS

生成物

结构：COC(CN(C(=O)CCOCCc1cccc(CCN2CC3(C2)CN(C(=O)c2csc(C(C)C)n2)CCO3)c1)C1CCCCC1)OC

HCID58168503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b27eba6676aa475fb8edc93a50aed570
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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