HRID1226611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID28179

Fluoride

F-

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

HCID68769357

未命名化合物

PRODUCTS

生成物

结构：C#Cc1nn(Cc2ccc(OC)cc2)c2ncc(C3CC3)c(N3CCN(C(=O)OC(C)(C)C)CC3)c12

HCID86647261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0de186b48b02458e99e33cffda3c0dbb
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:59](=[O:60])([O-:61])[O-:62].[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH:1]1([c:4]2[c:5]([N:28]3[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]3)[c:6]3[c:7]([n:8][cH:9]2)[n:10]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:11][c:12]3[C:13]#[C:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[CH2:2][CH2:3]1.[F-:41].[Na+:63].[Na+:64]>>[CH:1]1([c:4]2[c:5]([N:28]3[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]3)[c:6]3[c:7]([n:8][cH:9]2)[n:10]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:11][c:12]3[C:13]#[CH:14])[CH2:2][CH2:3]1