HRID210374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：Cc1ccc(C(=O)O)cc1-c1nc(N2CCC(N3CCC(C)CC3)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID57530509

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCC(F)(F)F)cc1-c1nc(N2CCC(N3CCC(C)CC3)CC2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59212731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f36efc36ceb64bcaa3d740f886520b58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:42])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([N:29]2[CH2:30][CH2:31][CH:32]([N:35]4[CH2:36][CH2:37][CH:38]([CH3:41])[CH2:39][CH2:40]4)[CH2:33][CH2:34]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27]2[CH3:28])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[F:74][C:75]([CH2:76][NH2:77])([F:78])[F:79].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:42])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([N:29]2[CH2:30][CH2:31][CH:32]([N:35]4[CH2:36][CH2:37][CH:38]([CH3:41])[CH2:39][CH2:40]4)[CH2:33][CH2:34]2)[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:77][CH2:76][C:75]([F:74])([F:78])[F:79])[cH:25][cH:26][c:27]2[CH3:28])[c:4]([F:8])[cH:5][cH:6][cH:7]1