HRID165572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID59290461

未命名化合物

HCID60815558

未命名化合物

PRODUCTS

生成物

结构：COC(CN(C(=O)CCOCCc1cccc(-c2cnn(C)c2)c1)C(C)C(C)C)OC

HCID59290378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc8c515601b0447db43878b71c1b1d61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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