HRID668304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID11323568

DIPHENYL(2,2,2-TRIFLUOROETHYL)PHOSPHINE OXIDE

C14H12F3OP

结构：O=Cc1cccc(C(=O)C(C(=O)c2cccc(F)c2)=C2Nc3ccccc3N2)c1

HCID178519574

未命名化合物

PRODUCTS

生成物

结构：O=C(C(C(=O)c1cccc(C=CC(F)(F)F)c1)=C1Nc2ccccc2N1)c1cccc(F)c1

HCID178520860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1485488caa8b41a0ae21fb6f9e8f91c1
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

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