HRID699580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID2733180

未命名化合物

HCID57826479

5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-2-furancarboxylic acid

C9H6Cl2N2O3

结构：NC(Cc1ccccc1C(F)(F)F)CN1C(=O)c2ccccc2C1=O

HCID178510762

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(Cl)c1-c1cc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)oc1Cl

HCID76576479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d32d15d2cac45c5b6d5cd68ba688db0
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

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