HRID682964

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22662909

2-[2-(1H-Imidazol-1-yl)ethyl]piperidine

C10H17N3

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)[O-])C1

HCID74498244

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCCCC2CCn2ccnc2)C1

HCID23521530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb1fcf3b603a4fb4b4a72ca665336b96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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