HRID1117572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CS(=O)(=O)C1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID12590459

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(F)C1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178517849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3ee069b359b4de2b7c02861ee64c14f
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

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