HRID158663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID14403175

9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine

C9H18N2

HCID66621308

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nc3c(C(=O)NC4CC5CCCC(C4)N5C)cccc3o2)cc1

HCID11718057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-354f81b8f55a4edd9da2ef85c382be12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:34]([N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43])[CH3:44].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[ClH:20].[ClH:21].[ClH:33].[NH2:22][CH:23]1[CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH:29]([CH2:30]1)[N:31]2[CH3:32].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1.[c:1]1([CH3:19])[cH:2][cH:3][c:4](-[c:7]2[o:8][c:9]3[c:10]([n:11]2)[c:12]([C:16](=[O:17])[OH:18])[cH:13][cH:14][cH:15]3)[cH:5][cH:6]1>>[c:1]1([CH3:19])[cH:2][cH:3][c:4](-[c:7]2[o:8][c:9]3[c:10]([n:11]2)[c:12]([C:16](=[O:18])[NH:22][CH:23]2[CH2:24][CH:25]4[CH2:26][CH2:27][CH2:28][CH:29]([CH2:30]2)[N:31]4[CH3:32])[cH:13][cH:14][cH:15]3)[cH:5][cH:6]1