HRID93683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID408394

8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

C8H16N2

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25252905

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)NC2CC3CCC(C2)N3C)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID44548265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeed1116dd3c4954b71cd7cf6d29a3f5
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

[C:77](=[O:78])([OH:79])[O-:80].[CH3:33][N:34]1[CH:35]2[CH2:36][CH:37]([NH2:42])[CH2:38][CH:39]1[CH2:40][CH2:41]2.[CH3:50][N:51]([C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]1[c:57]2[c:58]([n:59][cH:60][cH:61][cH:62]2)[N+:63]([O-:64])=[N:65]1)[CH3:66].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O: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].[Na+:81].[OH2:76].[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]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:42][CH:37]5[CH2:36][CH:35]6[N:34]([CH3:33])[CH:39]([CH2:38]5)[CH2:40][CH2:41]6)[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