HRID1231466

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

HCID7528

Solketal

C6H12O3

HCID8857

Ethyl acetate

C4H8O2

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(OCC3COC(C)(C)O3)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc32)cc1

HCID68763362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baaa2ef0903e4c76a43f8085f74bd207
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

[CH3:47][C:48]1([CH3:55])[O:49][CH2:50][CH:51]([CH2:53][OH:54])[O:52]1.[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[F-:56].[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+:57].[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][CH:51]2[CH2:50][O:49][C:48]([CH3:47])([CH3:55])[O:52]2)[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