HRID190072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3767

Isoniazid

C6H7N3O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1502082

N-Boc-4-carboxymethoxypiperidine

C12H21NO5

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(OCC(=O)NNC(=O)c2ccncc2)CC1

HCID69077736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d57b0653b8b142d788603cc146cf83b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][CH2:15][C:16](=[O:17])[OH:18])[CH2:12][CH2:13]1.[C:40]([c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1)(=[O:47])[NH:48][NH2:49].[CH2:19]([N:20]=[C:21]=[N:22][CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[CH3:29].[Cl:50][CH2:51][Cl:52].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][CH2:15][C:16](=[O:18])[NH:49][NH:48][C:40]([c:41]2[cH:42][cH:43][n:44][cH:45][cH:46]2)=[O:47])[CH2:12][CH2:13]1