HRID202159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID1512539

[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid

C12H21NO4

结构：c1cc(-n2cnnn2)ncc1OCc1cnn(C2CCNCC2)n1

HCID57708395

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(n3ncc(COc4ccc(-n5cnnn5)nc4)n3)CC2)CC1

HCID25174586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a8f520ef52b4df9a1835db1ccbf0fd1
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:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][CH:43]([CH2:46][C:47](=[O:48])[OH:49])[CH2:44][CH2:45]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[ClH:1].[NH:2]1[CH2:3][CH2:4][CH:5]([n:8]2[n:9][cH:10][c:11]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18](-[n:21]4[n:22][n:23][n:24][cH:25]4)[n:19][cH:20]3)[n:12]2)[CH2:6][CH2:7]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[N:2]1([C:47]([CH2:46][CH:43]2[CH2:42][CH2:41][N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:45][CH2:44]2)=[O:48])[CH2:3][CH2:4][CH:5]([n:8]2[n:9][cH:10][c:11]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18](-[n:21]4[n:22][n:23][n:24][cH:25]4)[n:19][cH:20]3)[n:12]2)[CH2:6][CH2:7]1