HRID321394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID10006

2,4-Imidazolidinedione

C3H4N2O2

结构：Cc1nn2c(NC3CC3)cc(Nc3ccc(-n4cccn4)cc3)nc2c1C=O

HCID58314034

未命名化合物

PRODUCTS

生成物

结构：Cc1nn2c(NC3CC3)cc(Nc3ccc(-n4cccn4)cc3)nc2c1C=C1NC(=O)NC1=O

HCID178433767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c539ac34ccd34402b89000a310b72379
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

[CH2:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][OH:44].[O:1]=[C:2]1[CH2:3][NH:4][C:5](=[O:6])[NH:7]1.[OH2:45].[n:8]1(-[c:13]2[cH:14][cH:15][c:16]([NH:19][c:20]3[n:21][c:22]4[n:23]([c:24]([NH:26][CH:27]5[CH2:28][CH2:29]5)[cH:25]3)[n:30][c:31]([CH3:35])[c:32]4[CH:33]=[O:34])[cH:17][cH:18]2)[n:9][cH:10][cH:11][cH:12]1>>[O:1]=[C:2]1[C:3](=[CH:33][c:32]2[c:22]3[n:21][c:20]([NH:19][c:16]4[cH:15][cH:14][c:13](-[n:8]5[n:9][cH:10][cH:11][cH:12]5)[cH:18][cH:17]4)[cH:25][c:24]([NH:26][CH:27]4[CH2:28][CH2:29]4)[n:23]3[n:30][c:31]2[CH3:35])[NH:4][C:5](=[O:6])[NH:7]1