HRID1200552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID11289826

2,4-dibromobutanoyl Bromide

C4H5Br3O

结构：CC(=O)OCC(COC(C)=O)NC(=O)c1c(I)c(N)c(I)c(C(=O)NC(COC(C)=O)COC(C)=O)c1I

HCID11766168

{[(5-Amino-2,4,6-triiodo-1,3-phenylene)bis(carbonyl)azanediyl]propane-2,1,3-triyl} tetraacetate

C22H26I3N3O10

PRODUCTS

生成物

结构：CC(=O)OCC(COC(C)=O)NC(=O)c1c(I)c(C(=O)NC(COC(C)=O)COC(C)=O)c(I)c(N2CCC(Br)C2=O)c1I

HCID19048411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af4ca1cd519649a4896a2208c4dc3b57
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

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