HRID91272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID787

Hydroxylamine

H3NO

HCID923

Sodium ion

Na+

HCID962

Water

H2O

结构：CC(C)(C)[Si](C)(C)OCCONC(=O)c1cc(C=O)c(F)c(F)c1Nc1ccc(I)cc1F

HCID23132329

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCCONC(=O)c1cc(C=NO)c(F)c(F)c1Nc1ccc(I)cc1F

HCID74020017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a601770e75e46b19b876a954a1adf37
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])[Si:5]([O:6][CH2:7][CH2:8][O:9][NH:10][C:11]([c:12]1[c:13]([NH:22][c:23]2[c:24]([F:30])[cH:25][c:26]([I:29])[cH:27][cH:28]2)[c:14]([F:21])[c:15]([F:20])[c:16]([CH:18]=[O:19])[cH:17]1)=[O:31])([CH3:32])[CH3:33].[C:37](=[O:38])([OH:39])[O-:40].[CH3:43][CH2:44][OH:45].[ClH:34].[NH2:35][OH:36].[Na+:41].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][O:9][NH:10][C:11]([c:12]1[c:13]([NH:22][c:23]2[c:24]([F:30])[cH:25][c:26]([I:29])[cH:27][cH:28]2)[c:14]([F:21])[c:15]([F:20])[c:16]([CH:18]=[N:35][OH:36])[cH:17]1)=[O:31])([CH3:32])[CH3:33]