HRID86478

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID59553117

未命名化合物

HCID59553180

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(OCCCCl)c2ccccc12)c1cc(F)cc(N2CCCCC2)c1

HCID59553319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97bd4322d4b44212b4bf5c49502d0d36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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