HRID960741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

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

HCID22184601

未命名化合物

HCID178420873

未命名化合物

PRODUCTS

产物

反应SMILES：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(c3c[nH]cn3)CC2)cc1C(F)(F)F

HCID178507821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-527f78dd24de4e0d878a4663508e2377
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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