HRID86229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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+

HCID62413993

未命名化合物

结构：CCCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC(C)C(=O)O)n(-c3ccccc3)n2)CC1

HCID178452381

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC(C)C(=O)N3CCCC3C(=O)NC3CCC3)n(-c3ccccc3)n2)CC1

HCID178452379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8559c1f5cdff414ea5839d8233dacc12
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

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