HRID677995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2733180

未命名化合物

HCID57826389

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

C9H7ClN2O2S

HCID77220149

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1cc(C(=O)NC(CC2CCCCC2)CN2C(=O)c3ccccc3C2=O)sc1Cl

HCID76576334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b06dcfad5aa04406bbb62daeca1b822e
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:53][P+:54]([N:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1)([N:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1)[N:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][cH:12][n:13][n:14]2[CH3:15])[cH:4][c:5]([C:7](=[O:8])[OH:9])[s:6]1.[NH2:25][CH:26]([CH2:27][N:28]1[C:29](=[O:38])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[C:36]1=[O:37])[CH2:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52]>>[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][cH:12][n:13][n:14]2[CH3:15])[cH:4][c:5]([C:7](=[O:9])[NH:25][CH:26]([CH2:27][N:28]2[C:29](=[O:38])[c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]3[C:36]2=[O:37])[CH2:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[s:6]1