HRID298699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID21081530

1-[(4-Fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10FNO3

HCID23153263

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2)ccn1)N1CCCC1

HCID59596956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-514eae2ca5ea42f99fb12c7f5475ac12
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

[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[F:23][c:24]1[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[C:33]2([C:36](=[O:37])[OH:38])[CH2:34][CH2:35]2)[cH:28][cH:29]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[n:10][cH:11][cH:12]2)[cH:21][cH:22]1.[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[n:10][cH:11][cH:12]2)[cH:21][cH:22]1)[C:36]([C:33]1([C:31]([NH:30][c:27]2[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]2)=[O:32])[CH2:34][CH2:35]1)=[O:37]