HRID1232905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID231754

3-ethoxy-2,2-dimethyl-3-oxopropanoic acid

C7H12O4

结构：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCCl)n(-c3ncccn3)n2)c1

HCID67470504

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)C(=O)OCOc1nc(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2cc(OC)cc(OCCO)c2F)nn1-c1ncccn1

HCID76166168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0f6c0129f3d41448b9d94bc8a8a7b77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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