HRID2128303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID923

Sodium ion

Na+

2 次

HCID934

Nickel cation

Ni+2

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID1118

Sulfuric acid

H2O4S

HCID21406754

未命名化合物

HCID21406756

未命名化合物

PRODUCTS

生成物

HCID20333459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cb01e8f092f48c485b5adb0d275d6cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:55][CH2:56][OH:57].[CH3:9][C:10]([O-:11])=[O:12].[ClH:54].[F:13][c:14]1[c:15](-[c:24]2[c:25]([F:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:16][cH:17][c:18]([CH:20]([CH:21]=[O:22])[CH3:23])[cH:19]1.[F:32][c:33]1[cH:34][c:35]([CH:36]([CH3:37])[C:38]([NH2:39])=[O:40])[cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][c:47]([F:48])[cH:49][c:50]1[F:51].[NH2:6][OH:7].[Na+:53].[Na+:8].[Ni+2:59].[O-:60][S:61](=[O:62])(=[O:63])[O-:64].[OH-:52].[OH2:58].[S:1]([OH:2])([OH:3])(=[O:4])=[O:5]>>[OH:11][C:21]([CH:20]([c:18]1[cH:17][cH:16][c:15](-[c:24]2[c:25]([F:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)[c:14]([F:13])[cH:19]1)[CH3:23])=[O:22]