HRID675309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID26255

Tetrafluoroborate

BF4-

HCID304016

未命名化合物

HCID86743576

未命名化合物

结构：CCOC(=O)C(=CC=C(C(=S)OCC)N(C)C)c1ccccc1

HCID86743580

Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

C18H23NO3S

PRODUCTS

生成物

结构：CCOC(=O)C(=CC=C(C(=S)OCC)N(C)C)CCc1ccccc1

HCID86743590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20a52e9f87d94801b7e5b3ca5e4c79e5
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-:24]([F:25])([F:26])([F:27])[F:28].[CH2:43]([CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[S:51][CH2:52][C:53]([O:54][CH2:55][CH3:56])=[O:57].[CH3:1][N:2]([C:3]([C:4](=[S:5])[O:6][CH2:7][CH3:8])=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH3:23].[CH3:29][N:30]([CH3:31])[C:32]([C:33]([O:34][CH2:35][CH3:36])=[O:37])=[CH:38][CH:39]=[N+:40]([CH3:41])[CH3:42].[CH3:58][CH2:59][OH:60]>>[CH3:1][N:2]([C:3]([C:4](=[S:5])[O:6][CH2:7][CH3:8])=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH3:23]