HRID1140423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

结构：CCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCC(N5CCCC5)CC4)c3)ccc21

HCID9982436

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCOCC4)c3)ccc21

HCID10092918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ad0103dc4e1457b8600346e5ae4a0f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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