HRID2141998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID1520811

4-PYRIDIN-4-YL-BENZOIC ACID

C12H9NO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3ccncc3)cc2)CC1

HCID22709443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cae102fb097b401ca4a10ca86639e1eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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