HRID686699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID57904802

未命名化合物

结构：O=C(O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCN2CC1

HCID57905073

未命名化合物

PRODUCTS

生成物

结构：CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CC2CCN3CC2)S1(=O)=O

HCID57905234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60602c47de7d46b7b6c9098875d6eeb4
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:23](=[O:24])[OH:25])[n:11][c:12]2[n:13]([c:21]1=[O:22])[CH2:14][CH:15]1[CH2:16][CH2:17][N:18]2[CH2:19][CH2:20]1.[CH3:79][N:80]([CH3:81])[c:82]1[cH:83][cH:84][n:85][cH:86][cH:87]1.[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[CH:70]([N:71]([CH:72]([CH3:73])[CH3:74])[CH2:75][CH3:76])([CH3:77])[CH3:78].[ClH:26].[F:27][c:28]1[cH:29][c:30]([N:36]2[S:37](=[O:44])(=[O:45])[N:38]([CH3:43])[C:39]([CH3:41])([CH3:42])[CH2:40]2)[c:31]([CH2:34][NH2:35])[cH:32][cH:33]1.[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:23](=[O:25])[NH:35][CH2:34][c:31]2[c:30]([N:36]3[S:37](=[O:44])(=[O:45])[N:38]([CH3:43])[C:39]([CH3:41])([CH3:42])[CH2:40]3)[cH:29][c:28]([F:27])[cH:33][cH:32]2)[n:11][c:12]2[n:13]([c:21]1=[O:22])[CH2:14][CH:15]1[CH2:16][CH2:17][N:18]2[CH2:19][CH2:20]1