HRID700585

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：Cc1c(Nc2ccc(C#N)cc2Cl)nc2c(C=O)cnn2c1NC1CC1

HCID58313710

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2ccc(C#N)cc2Cl)nc2c(C=C3NC(=O)NC3=O)cnn2c1NC1CC1

HCID178429911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c25f72cef0af4ad49efbce099d2ee86a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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