HRID2142761

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

HCID10985

Isoamyl nitrate

C5H11NO3

HCID33558

Azide

N3-

2 次

HCID3256856

未命名化合物

结构：COc1ccc(COC(=O)NC(Cc2c[nH]cn2)C(=O)O)cc1

HCID178491552

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COC(=O)NC(Cc2c[nH]cn2)C(=O)NC(CC2CCCCC2)C(O)C(=O)OC(C)C)cc1

HCID178491550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba988e9909d74f7899090f935edce28f
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

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