HRID1205441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8071

未命名化合物

HCID8441

Dimethyl terephthalate

C10H10O4

HCID166653

Hydride

H-

反应SMILES：CC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID2747562

1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one

C16H22O

PRODUCTS

产物

反应SMILES：COC(=O)c1ccc(C(=O)CC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

HCID14726488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-33357226401144bd8680e23af766cdf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:15]([CH3:16])(=[O:17])[c:18]1[cH:19][c:20]2[c:25]([cH:26][cH:27]1)[C:24]([CH3:28])([CH3:29])[CH2:23][CH2:22][C:21]2([CH3:30])[CH3:31].[C:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1)([O:13][CH3:12])=[O:14].[CH2:42]([CH2:43][O:44][CH3:45])[O:46][CH3:47].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[ClH:34].[H-:32].[Na+:33].[OH2:48]>>[C:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1)(=[O:13])[CH2:16][C:15](=[O:17])[c:18]1[cH:19][c:20]2[c:25]([cH:26][cH:27]1)[C:24]([CH3:28])([CH3:29])[CH2:23][CH2:22][C:21]2([CH3:30])[CH3:31]