HRID296411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID14942

Silicic acid (H4SiO4)

H4O4Si

HCID521297

Hypochlorous acid, 1,1-dimethylethyl ester

C4H9ClO

结构：CC(C)(C)c1c(Cl)c(CO[SiH](c2ccccc2)c2ccccc2)cc(-n2cccc2C#N)c1Cl

HCID178441119

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1c(Cl)c(CO[SiH](c2ccccc2)c2ccccc2)cc(-n2cc(Cl)cc2C#N)c1Cl

HCID178441123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dae19467a7534d01bd5aa620d05d4b82
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([Cl:34])[c:7](-[n:27]2[c:28]([C:32]#[N:33])[cH:29][cH:30][cH:31]2)[cH:8][c:9]([CH2:12][O:13][SiH:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:10]1[Cl:11].[C:46]([Cl:47])([Cl:48])([Cl:49])[Cl:50].[Cl:40][O:41][C:42]([CH3:43])([CH3:44])[CH3:45].[OH2:51].[OH:35][Si:36]([OH:37])([OH:38])[OH:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([Cl:34])[c:7](-[n:27]2[c:28]([C:32]#[N:33])[cH:29][c:30]([Cl:40])[cH:31]2)[cH:8][c:9]([CH2:12][O:13][SiH:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:10]1[Cl:11]