HRID698620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID26255

Tetrafluoroborate

BF4-

结构：CCOC(=O)C(=CC=C(SC)C(=O)c1ccccc1)N(C)C

HCID44325574

未命名化合物

HCID53948061

未命名化合物

HCID86743576

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=CC=C(C(=O)OCC)N(C)C)c1cccc(C(=O)c2ccccc2)c1

HCID53826129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3e2ab6c6bda4f648aadee371291f11a
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

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