HRID1131351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

4 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID61778

Bisulfate anion

HO4S-

结构：COc1cc(Cl)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)OCC[Si](C)(C)C)n1

HCID14648843

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Cl)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1

HCID14648844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0166e0a33c6422ab1e41b714212d25b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[Cl:1][c:2]1[n:3][c:4]([O:10][c:11]2[c:12]([C:13](=[O:14])[O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[c:22]([O:26][c:27]3[n:28][c:29]([O:35][CH3:36])[cH:30][c:31]([O:33][CH3:34])[n:32]3)[cH:23][cH:24][cH:25]2)[n:5][c:6]([O:8][CH3:9])[cH:7]1.[F-:40].[K+:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:37].[OH2:38].[OH2:39].[OH2:58].[S:59]([O-:60])([OH:61])(=[O:62])=[O:63]>>[Cl:1][c:2]1[n:3][c:4]([O:10][c:11]2[c:12]([C:13](=[O:14])[OH:15])[c:22]([O:26][c:27]3[n:28][c:29]([O:35][CH3:36])[cH:30][c:31]([O:33][CH3:34])[n:32]3)[cH:23][cH:24][cH:25]2)[n:5][c:6]([O:8][CH3:9])[cH:7]1