HRID675448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2733180

未命名化合物

HCID57826748

2-Thiophenecarboxylic acid, 5-ethyl-4-(1-methyl-1H-pyrazol-5-yl)-

C11H12N2O2S

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

HCID178510762

未命名化合物

PRODUCTS

生成物

结构：CCc1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1ccnn1C

HCID76576564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6f541b781e341f883600d56e12a0e3f
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:58][P+:59]([N:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1)([N:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1)[N:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][cH:13][n:14][n:15]2[CH3:16])[cH:5][c:6]([C:8](=[O:9])[OH:10])[s:7]1.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:75][CH2:76][Cl:77].[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-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][cH:13][n:14][n:15]2[CH3:16])[cH:5][c:6]([C:8](=[O:10])[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)[s:7]1