HRID667943

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

HCID1094966

N,N-dimethylpiperazine-1-sulfonamide

C6H15N3O2S

HCID4641409

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

C10H15N6O+

结构：CCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2ccc3c(c2)c(=O)c(C(=O)O)cn3CCN(C)C)cn1

HCID59415733

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2ccc3c(c2)c(=O)c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cn3CCN(C)C)cn1

HCID59415901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ebedbf4d1654a1a80f4e845cf36a6e4
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

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