HRID157091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2C

HCID25253680

未命名化合物

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21

HCID178484291

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(F)(F)C(=O)N2C

HCID25253837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aca12b1a3bd743dfb3a5d2e8dc10b41b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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