HRID2335451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：COc1cnc2c(c1)cc(C(=CC1CCCC1)c1ccc(S(C)(=O)=O)cc1)n2S(=O)(=O)c1ccccc1

HCID67228612

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2[nH]c(C(=CC3CCCC3)c3ccc(S(C)(=O)=O)cc3)cc2c1

HCID67228896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2720b8dceb514e37b5b37accab32a721
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:39][CH2:40][CH2:41][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].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[F-:38].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[c:11]([C:21](=[CH:22][CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[c:28]3[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([O:19][CH3:20])[cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[c:11]([C:21](=[CH:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[c:28]2[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]2)[cH:12][c:13]2[c:14]1[n:15][cH:16][c:17]([O:19][CH3:20])[cH:18]2