HRID2332525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID651752

ethyl 5-phenyl-1,3,4-oxadiazole-2-carboxylate

C11H10N2O3

HCID66656363

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)ccc1CN1CCC(C)(CO)CC1

HCID56597146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bc3b975aec8476da3aa21da4ffc4cf9
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

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