HRID2348906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8053

3-Methylbutyl nitrite

C5H11NO2

HCID8471

Triethylamine

C6H15N

HCID33558

Azide

N3-

2 次

HCID11182931

未命名化合物

结构：O=C(NC(Cc1c[nH]cn1)C(=O)O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12

HCID178523259

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)N1CCCCC1)Cc1cccc2ccccc12

HCID178501810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79ad0b2bf19c4e82abd6f89ec9134e05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][CH:67]([CH2:68][CH2:69][O:70][N:71]=[O:72])[CH3:73].[ClH:48].[N-:45]=[N+:46]=[N-:47].[N-:8]=[N+:9]=[N-:10].[NH2:49][CH:50]([CH:51]([C:52](=[O:53])[O:54][CH3:55])[OH:56])[CH2:57][CH:58]([CH3:59])[CH3:60].[c:11]1([CH2:21][CH:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][c:28]2[cH:29][nH:30][cH:31][n:32]2)[C:33](=[O:34])[OH:35])[CH2:36][C:37](=[O:38])[N:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12>>[c:11]1([CH2:21][CH:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][c:28]2[cH:29][nH:30][cH:31][n:32]2)[C:33](=[O:34])[NH:49][CH:50]([CH:51]([C:52](=[O:53])[O:54][CH3:55])[OH:56])[CH2:57][CH:58]([CH3:59])[CH3:60])[CH2:36][C:37](=[O:38])[N:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12