HRID306715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8471

Triethylamine

C6H15N

HCID12563

2-Methyl-1,1'-biphenyl

C13H12

HCID160163

4-methylbenzenesulfonothioic o-acid

C7H8O2S2

HCID54680410

未命名化合物

PRODUCTS

生成物

结构：O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1SCc1ccccc1-c1ccccc1

HCID54721666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70a50b0a96fb4755a5bed0736dae1109
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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