HRID2315655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7590

Benzeneacetic acid, ethyl ester

C10H12O2

HCID26255

Tetrafluoroborate

BF4-

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)c1ccccc1

HCID53828842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68a3cf6bcc2941f79ea6538f897ddde6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[B-:24]([F:25])([F:26])([F:27])[F:28].[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:38])=[CH:37][CH:39]=[N+:40]([CH3:41])[CH3:42].[CH3:55][CH2:56][OH:57].[c:43]1([CH2:44][C:45]([O:46][CH2:47][CH3:48])=[O:49])[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][N:2]([C:3]([C:4]([O:6][CH2:7][CH3:8])=[O:38])=[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]