HRID2311999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

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(O)C1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1

HCID58902231

未命名化合物

结构：CC(C)(C)OC(=O)NCc1cc(N)cc(C(F)(F)F)c1

HCID59735029

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(C(F)(F)F)c1

HCID86613294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26dc2b4c364540b081f0c3fc6b740973
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][cH:9][cH:10][c:11]([O:13][c:14]3[cH:15][cH:16][c:17]4[c:22]([cH:23]3)[CH2:21][CH:20]([C:24](=[O:25])[OH:26])[CH2:19][CH2:18]4)[cH:12]2)[CH2:2][CH2:3]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[NH2:60][c:61]1[cH:62][c:63]([CH2:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72])[cH:73][c:74]([C:76]([F:77])([F:78])[F:79])[cH:75]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:85].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[n:8][cH:9][cH:10][c:11]([O:13][c:14]3[cH:15][cH:16][c:17]4[c:22]([cH:23]3)[CH2:21][CH:20]([C:24](=[O:25])[NH:60][c:61]3[cH:62][c:63]([CH2:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72])[cH:73][c:74]([C:76]([F:77])([F:78])[F:79])[cH:75]3)[CH2:19][CH2:18]4)[cH:12]2)[CH2:2][CH2:3]1