HRID180714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID67695

[3-(Trifluoromethyl)phenyl]acetic acid

C9H7F3O2

HCID4641409

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

C10H15N6O+

结构：N#Cc1c(Oc2cccc(N)c2)ccc2nc(NC(=O)C3CC3)sc12

HCID86644685

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(Oc2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12

HCID46222581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d7172a8753048a8a46f3a90807361af
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

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