HRID321147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID601880

3-(Methoxycarbonyl)benzoic acid

C9H8O4

HCID2761409

1-(2-methylpropanoyl)piperazine

C8H16N2O

PRODUCTS

产物

HCID66621314

Methyl 3-(4-isobutyrylpiperazine-1-carbonyl)benzoate

C17H22N2O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e118be7902c6403f94fdcaebe500832b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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