HRID120873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID961

Hydroxide

HO-

HCID8078

Cyclohexane

C6H12

HCID15413

Methyl tert-butyl ether

C5H12O

HCID26255

Tetrafluoroborate

BF4-

HCID32051

Zinc (II) cation

Zn+2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID605713

methyl 5-bromothiophene-2-carboxylate

C6H5BrO2S

HCID643455

1-Boc-Pyrrolidine

C9H17NO2

HCID178418400

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C2CCCN2C(=O)OC(C)(C)C)s1

HCID66758891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-736f344884f84883a6b8579cca61d020
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

[B-:28]([F:29])([F:30])([F:31])[F:32].[Br:18][c:19]1[cH:20][cH:21][c:22]([C:24](=[O:25])[O:26][CH3:27])[s:23]1.[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH2:11][CH2:12]1.[C:33]([P:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])([CH3:44])[CH3:45].[CH2:54]1[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[CH3:48][O:49][C:50]([CH3:51])([CH3:52])[CH3:53].[CH:13]([Li:14])([CH2:15][CH3:16])[CH3:17].[Cl-:60].[Cl-:62].[NH4+:46].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[OH-:47].[Pd+2:63].[Zn+2:61]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH2:11][CH:12]1[c:19]1[cH:20][cH:21][c:22]([C:24](=[O:25])[O:26][CH3:27])[s:23]1