HRID690377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID21071024

1-(4-Chloro-3-methoxyphenyl)piperazine

C11H15ClN2O

结构：O=C(O)Cn1nc(C(F)(F)F)c(Cl)c1CN1CCOCC1

HCID68652844

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN3CCOCC3)CC2)ccc1Cl

HCID57840197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-621f7ccf41a44c24aa78623dca6fbdf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cl:16][c:17]1[c:18]([C:33]([F:34])([F:35])[F:36])[n:19][n:20]([CH2:29][C:30](=[O:31])[OH:32])[c:21]1[CH2:22][N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[Cl:1][c:2]1[c:3]([O:14][CH3:15])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[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[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[c:3]([O:14][CH3:15])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:30]([CH2:29][n:20]3[n:19][c:18]([C:33]([F:34])([F:35])[F:36])[c:17]([Cl:16])[c:21]3[CH2:22][N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)=[O:31])[CH2:12][CH2:13]2)[cH:6][cH:7]1