HRID1209146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID283

Formic acid, ion(1-)

CHO2-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7757

Methyl acetoacetate

C5H8O3

HCID16028

Tetrabutylammonium

C16H36N+

HCID14347982

未命名化合物

PRODUCTS

生成物

HCID14534472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d9ee2a41ffd421190e42b9b04033a1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:32].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:33][CH2:34][CH2:35][CH2:36][N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:12]([O-:13])=[O:14].[ClH:11].[F:16][C:17]([c:18]1[cH:19][cH:20][c:21]([S:24][CH2:25][CH2:26][CH:27]=[O:28])[cH:22][cH:23]1)([F:29])[F:30].[NH4+:15].[Na+:10].[OH-:9].[OH2:31]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:27]([CH2:26][CH2:25][S:24][c:21]1[cH:20][cH:19][c:18]([C:17]([F:16])([F:29])[F:30])[cH:23][cH:22]1)[OH:28]