HRID286565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10387

Benzyl chloroformate

C8H7ClO2

结构：O=C(CN1CCN(C(=O)OCc2ccccc2)C(Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1

HCID17961917

未命名化合物

HCID44118663

tert-Butyl 2-benzylpiperazine-1-carboxylate

C16H24N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CC1Cc1ccccc1

HCID69432606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5f602e25e6144f4b431eb4fbc9b41d9
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

[CH2:1]([CH:2]1[CH2:3][N:4]([CH2:5][C:6]([NH:7][c:8]2[cH:9][cH:10][cH:11][c:12]([N+:13]([O-:14])=[O:15])[cH:16]2)=[O:17])[CH2:18][CH2:19][N:20]1[C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:44]1[N:45]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH2:46][CH2:47][NH:48][CH2:49]1.[CH2:75]([Cl:76])[Cl:77].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[Cl:64][C:65]([O:66][CH2:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)=[O:74]>>[C:27](=[O:28])([O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[N:48]1[CH2:47][CH2:46][N:45]([C:50](=[O:51])[O:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH:44]([CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH2:49]1