HRID1548614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID1318

1,10-Phenanthroline

C12H8N2

HCID8857

Ethyl acetate

C4H8O2

HCID24232

Ethanol, 2-(1,1-dimethylethoxy)-

C6H14O2

HCID28179

Fluoride

F-

结构：COc1ccc(Cn2nc(I)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc32)cc1

HCID68759242

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(OCCOC(C)(C)C)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc32)cc1

HCID68755474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4c5e4aba48e49678a15a2dad6f5759c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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