HRID122543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

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

HCID178441121

未命名化合物

PRODUCTS

生成物

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

HCID178441122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8f16d6bd4134038b62b3b6889be9489
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]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([Cl:34])[c:7](-[n:27]2[c:28]([CH:32]=[O: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:52]([OH:53])([CH3:54])([CH3:55])[CH3:56].[CH3:35][C:36](=[CH:37][CH3:38])[CH3:39].[Cl+:46]([O-:47])[O-:48].[ClH:50].[Na+:45].[Na+:49].[OH2:51].[P:40](=[O:41])([O-:42])([OH:43])[OH:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([Cl:34])[c:7](-[n:27]2[c:28]([C:32](=[O:33])[OH:41])[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]