HRID1120456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11661

Tetramethyltin

C4H12Sn

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID24386

Thionyl chloride

Cl2OS

结构：COc1ccc(C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

HCID5296503

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)=O)cc1C12CC3CC(CC(C3)C1)C2

HCID10636822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b7c9146897b411ea368f4c28ef68c67
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

[C:1]12([c:11]3[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][c:19]3[O:20][CH3:21])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH3:26][N:27]([P:28]([N:29]([CH3:30])[CH3:31])([N:32]([CH3:33])[CH3:34])=[O:35])[CH3:36].[CH3:37][Sn:38]([CH3:39])([CH3:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[OH2:49].[S:22]([Cl:23])([Cl:24])=[O:25]>>[C:1]12([c:11]3[cH:12][c:13]([C:14](=[O:16])[CH3:26])[cH:17][cH:18][c:19]3[O:20][CH3:21])[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2