HRID320860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID74939

3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid

C10H7F3O2

HCID4641409

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

C10H15N6O+

结构：C[Si](C)(C)CCOC(=O)NC1CC2(CCNCC2)c2c(Br)cccc21

HCID67224539

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOC(=O)NC1CC2(CCN(C(=O)C=Cc3ccccc3C(F)(F)F)CC2)c2c(Br)cccc21

HCID67223015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1732751aaad84db4b8e05e0b9f6de401
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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