HRID1213904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8082

Piperidine

C5H11N

结构：O=C(Nc1ccc(NC(=O)c2cccnc2OCc2ccccc2)c(OCc2ccccc2)c1)OCC1c2ccccc2-c2ccccc21

HCID58865748

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(NC(=O)c2cccnc2OCc2ccccc2)c(OCc2ccccc2)c1

HCID21104163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34a937ad2f964bb8959a187dd4f4048e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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