HRID2126579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID24729482

tert-Butyl 4-(aminooxy)piperidine-1-carboxylate

C10H20N2O3

HCID67235820

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(ONC(=O)c2cc3ccncn3c2Nc2ccc(I)cc2F)CC1

HCID86654287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b084a375e9d475288133e2ccd0e102d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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