HRID1118861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID75828

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one

C8H5BrCl2O

HCID20332672

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1OCC1COC(CBr)(c2ccc(Cl)cc2Cl)O1

HCID20332668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4a4700c382840819374768448a0c372
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:15][CH2:16][C:17](=[O:18])[c:19]1[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]1.[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH3:1][c:2]1[c:3]([O:4][CH2:5][CH:6]([CH2:7][OH:8])[OH:9])[c:10]([CH3:14])[cH:11][cH:12][cH:13]1.[CH3:27][c:28]1[cH:29][cH:30][c:31]([S:32](=[O:33])(=[O:34])[OH:35])[cH:36][cH:37]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][CH:6]2[CH2:7][O:8][C:17]([CH2:16][Br:15])([c:19]3[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]3)[O:9]2)[c:10]([CH3:14])[cH:11][cH:12][cH:13]1