HRID2345211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID58443053

未命名化合物

结构：NC(COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1

HCID145705839

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1nccn(Cc2ccc(F)c(F)c2)c1=O

HCID178523434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a27c0f3b098b489fb33aebd5b8325fd7
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

[CH3:75][N:76]1[CH2:77][CH2:78][CH2:79][C:80]1=[O:81].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl-:73].[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:15])[c:8]([C:12](=[O:13])[OH:14])[n:9][cH:10][cH:11]2)[cH:16][cH:17][c:18]1[F:19].[NH2:53][CH:54]([CH2:55][O:56][c:57]1[cH:58][c:59]2[c:60]([nH:61][c:62](=[O:64])[nH:63]2)[cH:65][cH:66]1)[c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[NH4+:74].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](=[O:15])[c:8]([C:12](=[O:14])[NH:53][CH:54]([CH2:55][O:56][c:57]3[cH:58][c:59]4[c:60]([nH:61][c:62](=[O:64])[nH:63]4)[cH:65][cH:66]3)[c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]3)[n:9][cH:10][cH:11]2)[cH:16][cH:17][c:18]1[F:19]