HRID1575578

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

HCID2778306

1-(Trifluoromethyl)cyclopropane-1-carboxylic acid

C5H5F3O2

HCID4641409

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

C10H15N6O+

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3C(F)(F)F)CN2)CC1

HCID178510646

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3C(F)(F)F)CN2C(=O)C2(C(F)(F)F)CC2)CC1

HCID72322039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7c70f0367cf4967800a180cecfa9ae0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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