HRID170251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID3734990

1-ethylpiperidin-4-amine

C7H16N2

结构：CCc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID58015065

未命名化合物

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ccccc21

HCID178484288

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)NC2CCN(CC)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID58015113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc77ffd0883d4585b354136c5bec51da
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

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