HRID109650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID15479763

未命名化合物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID22184601

未命名化合物

PRODUCTS

生成物

结构：CN1C2CCC1CC(N1CCN(C(=O)C(CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)Cc3cc(Cl)c(N)c(C(F)(F)F)c3)CC1)C2

HCID68591620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-845fea45b996436f96d8045e32483a70
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:54]([F:55])([F:56])([F:57])[F:58].[CH2:76]([N:77]([CH:78]([CH3:79])[CH3:80])[CH:81]([CH3:82])[CH3:83])[CH3:84].[CH3:1][N:2]1[CH:3]2[CH2:4][CH:5]([N:10]3[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]3)[CH2:6][CH:7]1[CH2:8][CH2:9]2.[K+:85].[K+:86].[NH2:16][c:17]1[c:18]([Cl:53])[cH:19][c:20]([CH2:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:26][C:27]([N:28]2[CH2:29][CH2:30][CH:31]([N:34]3[C:35](=[O:45])[NH:36][c:37]4[c:38]([cH:41][cH:42][cH:43][cH:44]4)[CH2:39][CH2:40]3)[CH2:32][CH2:33]2)=[O:46])[cH:47][c:48]1[C:49]([F:50])([F:51])[F:52].[O-:87][C:88]([O-:89])=[O:90].[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[CH3:1][N:2]1[CH:3]2[CH2:4][CH:5]([N:10]3[CH2:11][CH2:12][N:13]([C:23]([CH:22]([CH2:21][c:20]4[cH:19][c:18]([Cl:53])[c:17]([NH2:16])[c:48]([C:49]([F:50])([F:51])[F:52])[cH:47]4)[CH2:26][C:27]([N:28]4[CH2:29][CH2:30][CH:31]([N:34]5[C:35](=[O:45])[NH:36][c:37]6[c:38]([cH:41][cH:42][cH:43][cH:44]6)[CH2:39][CH2:40]5)[CH2:32][CH2:33]4)=[O:46])=[O:24])[CH2:14][CH2:15]3)[CH2:6][CH:7]1[CH2:8][CH2:9]2