HRID2346531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1ccc(CCCCOCCCCBr)cc1

HCID58024742

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1ccc(CCCCOCCCCN2CCOCC2)cc1

HCID24985126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-530725dbe4534f999cc1f7c2548aaa6a
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

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