HRID193411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

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+

HCID21082274

未命名化合物

HCID22053986

未命名化合物

PRODUCTS

生成物

结构：CC(CNc1ccc(OC(F)(F)F)cc1)NC(=O)C(CCC1CCCCC1)CC(=O)N1CCOCC1

HCID68479922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe63fdffb6ef4a59b67f1a17afc35715
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

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