HRID308747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7852

Propylamine

C3H9N

HCID8028

Tetrahydrofuran

C4H8O

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+

结构：O=C(Nc1sc2c(c1C(=O)O)C1CCC(C2)O1)c1c(F)cccc1C(F)(F)F

HCID66846187

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2c1C1CCC(C2)O1

HCID25002391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88ed4a62404e4c8fa0dc90062b914fea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:29][CH2:30][CH2:31][NH2:32].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:18](=[O:19])[OH:20])[c:9]3[c:10]([s:11]2)[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]3[O:17]2)[c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]1.[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[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>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:18](=[O:20])[NH:32][CH2:31][CH2:30][CH3:29])[c:9]3[c:10]([s:11]2)[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]3[O:17]2)[c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]1