HRID172823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID1318

1,10-Phenanthroline

C12H8N2

HCID28179

Fluoride

F-

结构：COc1ccc(Cn2nc(I)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(C4CC4)cnc32)cc1

HCID68761344

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(OC)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(C4CC4)cnc32)cc1

HCID68757913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e83312dd90d04f048f3268220c287e30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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