HRID120688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID24385

未命名化合物

HCID96623

Acetyl chloride, methoxy-

C3H5ClO2

结构：O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1

HCID2853078

1-(4-nitrophenyl)cyclopentanoic acid

C12H13NO4

HCID5360545

Sodium

PRODUCTS

生成物

HCID18766649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-762268c4ea1e432890b5dca2ca025711
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

[BH3:37].[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][O:47][CH2:48][C:49](=[O:50])[Cl:51].[CH3:61][OH:62].[Cl:53][Ni:54][Cl:55].[ClH:39].[K+:44].[K+:45].[N+:20]([O-:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:29]2([C:34](=[O:35])[OH:36])[CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:27][cH:28]1.[Na:38].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:52].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH:20]([c:23]1[cH:24][cH:25][c:26]([C:29]2([C:34](=[O:35])[OH:36])[CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:27][cH:28]1)[C:49]([CH2:48][O:47][CH3:46])=[O:50]