HRID1125703

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

HCID57826587

未命名化合物

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(F)c1-c1cc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)sc1Cl

HCID76576325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bf4a2b90fc94bf8a1285843d22ac352
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3](-[c:10]2[c:11]([F:16])[cH:12][n:13][n:14]2[CH3:15])[cH:4][c:5]([C:7](=[O:8])[OH:9])[s:6]1.[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]>>[Cl:1][c:2]1[c:3](-[c:10]2[c:11]([F: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)[s:6]1