HRID687272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

反应SMILES：Cc1cc(C(=O)NCOCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1

HCID57736459

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C(=O)NCOCCO)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1

HCID57736427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1ae0c1c7ab8e46f3a3b590d193b82698
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:1]([Si:2]([c:3]1[cH:4][cH:5][cH:40][cH:41][cH:42]1)([O:6][CH2:7][CH2:8][O:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][cH:16][c:17]([CH:21]([S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[c:32]2[c:33]([F:39])[cH:34][cH:35][c:36]([F:38])[cH:37]2)[c:18]([CH3:20])[cH:19]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([CH3:49])([CH3:50])[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:57][CH2:58][CH2:59][CH2:60][N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73].[Cl-:74].[F-:56].[NH4+:75].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1>>[OH:6][CH2:7][CH2:8][O:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][cH:16][c:17]([CH:21]([S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[c:32]2[c:33]([F:39])[cH:34][cH:35][c:36]([F:38])[cH:37]2)[c:18]([CH3:20])[cH:19]1