HRID174194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

结构：CN(C)CC#Cc1cnc(C(F)(F)F)c(Nc2ncc3c(n2)-c2ccc(C(F)(F)F)cc2NC(=O)C3)c1

HCID59405009

未命名化合物

PRODUCTS

生成物

HCID59405026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2dde282e856404cbccb3dca92071795
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

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