查数据/反应详情

HRID124704

反应详情

EQUATION

反应方程式

HRID 124704 的结构方程式

REACTANTS

反应物

3

结构：CC(=O)[O-]

Acetate

C2H3O2-

结构：c1cc[c]([Sn+]([c]2ccccc2)[c]2ccccc2)cc1

Fentin

C18H15Sn+

结构：[Sn]

Tin atom

Sn

PRODUCTS

生成物

2

结构：[OH-]

Hydroxide

HO-

结构：c1cc[c]([Sn+]([c]2ccccc2)[c]2ccccc2)cc1

Fentin

C18H15Sn+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88053ad03acc4810abf74049bb35c4c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([O-:2])(=[O:3])[CH3:4].[Sn:24].[c:5]1([Sn+:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[OH-:3].[c:5]1([Sn+:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7][cH:8][cH:9][cH:10]1

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