HRID2340361

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1ccc(-c2nc(CCOc3cccc4c3CCC=C4CCC(=O)O)c(C)o2)cc1

HCID9909875

未命名化合物

HCID13608208

O-(2-Methoxypropan-2-yl)hydroxylamine

C4H11NO2

PRODUCTS

生成物

结构：COC(C)(C)ONC(=O)CCC1=CCCc2c(OCCc3nc(-c4ccc(C)cc4)oc3C)cccc21

HCID23157991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55a87383e2ff47c0b6245706c37ea607
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

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