HRID98290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C4CCC(C(=O)O)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID49822346

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C4CCC(C(=O)NO)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58292951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce8eeda134bd46abbbf3da4b64f49536
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

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