HRID196064

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

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID59202026

未命名化合物

HCID67265531

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)NNC(=O)c2cc(C)c(C3OCCO3)s2)cc(C)c1OCc1ccccc1

HCID67265521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d97d4ed62295447f9b044be7da02afdc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:57]([c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[O:64][c:65]1[c:66]([CH2:76][CH3:77])[cH:67][c:68]([C:69](=[O:70])[NH:71][NH2:72])[cH:73][c:74]1[CH3:75].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[O:43]1[CH:44]([c:48]2[c:49]([CH3:56])[cH:50][c:51]([C:53](=[O:54])[OH:55])[s:52]2)[O:45][CH2:46][CH2:47]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][P+:10]([N:11]2[CH2:12][CH2:13][CH2:14][CH2:15]2)([N:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[N:21]2[CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[O:43]1[CH:44]([c:48]2[c:49]([CH3:56])[cH:50][c:51]([C:53](=[O:55])[NH:72][NH:71][C:69]([c:68]3[cH:67][c:66]([CH2:76][CH3:77])[c:65]([O:64][CH2:57][c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[c:74]([CH3:75])[cH:73]3)=[O:70])[s:52]2)[O:45][CH2:46][CH2:47]1