HRID662498

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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+

HCID10442595

Ethyl 3-(4-aminophenyl)propanoate

C11H15NO2

结构：O=C(O)C1CCC(CNC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)ccc32)CC1

HCID44198097

未命名化合物

结构：CCOC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1

HCID68645493

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1

HCID68645553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b1a3247fe2a4b1c8b7775114702f242
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:115]([N:116]([CH:117]([CH3:118])[CH3:119])[CH:120]([CH3:121])[CH3:122])[CH3:123].[CH2:1]([O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:20]2[c:21](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[n:22][c:23]3[c:24]2[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]3)=[O:38])[cH:9][cH:10]1)[CH3:39].[CH2:77]([CH3:78])[O:79][C:80]([CH2:81][CH2:82][c:83]1[cH:84][cH:85][c:86]([NH2:87])[cH:88][cH:89]1)=[O:90].[Cl:40][c:41]1[cH:42][cH:43][c:44](-[c:45]2[n:46]([CH:47]([CH:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[C:54]([NH:55][CH2:56][CH:57]3[CH2:58][CH2:59][CH:60]([C:61]([OH:62])=[O:63])[CH2:64][CH2:65]3)=[O:66])[c:67]3[cH:68][cH:69][c:70]([F:71])[cH:72][c:73]3[n:74]2)[cH:75][cH:76]1.[P-:91]([F:92])([F:93])([F:94])([F:95])([F:96])[F:97].[n:98]1([O:99][C:100]([N:101]([CH3:102])[CH3:103])=[N+:104]([CH3:105])[CH3:106])[c:107]2[n:108][cH:109][cH:110][cH:111][c:112]2[n:113][n:114]1>>[c:5]1([CH2:82][CH2:81][C:80]([O:79][CH2:77][CH3:78])=[O:90])[cH:6][cH:7][c:8]([NH:11][C:12]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:20]2[c:21](-[c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[n:22][c:23]3[c:24]2[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]3)=[O:38])[cH:9][cH:10]1