HRID1230299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5943

Carbon tetrachloride

CCl4

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14232

N-Methoxymethylamine

C2H7NO

HCID27970

Methanamine, N-hydroxy-N-methyl-

C2H7NO

HCID130500

未命名化合物

结构：O=C(O)c1c(-c2c(F)cccc2Cl)noc1-c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F

HCID86668506

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)c1c(-c2c(F)cccc2Cl)noc1-c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F

HCID60141904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa729561cc5649138774edc60f2b00e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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