HRID87671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)[Si](Sc1cccc(C2(C(N)=O)CCOCC2)c1)(C(C)C)C(C)C

HCID56601410

未命名化合物

HCID63961372

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1C(=O)c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1Cl

HCID57864133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5559644fca78482b930b6f939038edac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:44][CH2:45][CH2:46][CH2:47][N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:17]([Si:18]([CH:19]([CH3:20])[CH3:37])([S:21][c:22]1[cH:23][c:24]([C:28]2([C:34](=[O:35])[NH2:36])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[cH:25][cH:26][cH:27]1)[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[c:3]([C:9](=[O:10])[c:11]2[cH:12][cH:13][n:14][n:15]2[CH3:16])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[F-:43].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:71]>>[Cl:1][c:2]1[c:3]([C:9](=[O:10])[c:11]2[cH:12][cH:13][n:14][n:15]2[CH3:16])[cH:4][cH:5][c:6]([S:21][c:22]2[cH:23][c:24]([C:28]3([C:34](=[O:35])[NH2:36])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:25][cH:26][cH:27]2)[cH:7]1