HRID125064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID26255

Tetrafluoroborate

BF4-

HCID13245059

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(=O)OCC)N(C)C)SCc1ccccc1C

HCID53720386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe5538da8a9e4a3584f3b91a5a5f5575
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

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