HRID281647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

结构：CNC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4N)sc3c2)ccn1

HCID178485495

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4NC(C)=O)sc3c2)ccn1

HCID87421368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-988168cc817b4419bf671d9b2db8c4b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37](=[O:38])[O:39][C:40](=[O:41])[CH3:42].[NH2:1][CH:2]1[CH:3]([NH:8][c:9]2[s:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([O:18][c:19]2[cH:20][c:21]([C:25](=[O:26])[NH:27][CH3:28])[n:22][cH:23][cH:24]2)[cH:17]3)[CH2:4][CH2:5][CH2:6][CH2:7]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[NH:1]([CH:2]1[CH:3]([NH:8][c:9]2[s:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([O:18][c:19]2[cH:20][c:21]([C:25](=[O:26])[NH:27][CH3:28])[n:22][cH:23][cH:24]2)[cH:17]3)[CH2:4][CH2:5][CH2:6][CH2:7]1)[C:37]([CH3:36])=[O:38]