HRID2154873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID8028

Tetrahydrofuran

C4H8O

结构：C=Cc1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccn2)cc1

HCID57758330

未命名化合物

PRODUCTS

生成物

HCID57955273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cb6c9e066d5439a852611a5eae227a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:33][C:34](=[O:35])[OH:36].[CH3:42][CH2:43][OH:44].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:13]1[cH:14][cH:15][c:16]([NH:19][C:20](=[O:21])[NH:22][c:23]3[n:24][cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]3)[cH:17][cH:18]1)[c:9]([CH:11]=[CH2:12])[cH:10]2>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:13]1[cH:14][cH:15][c:16]([NH:19][C:20](=[O:21])[NH:22][c:23]3[n:24][cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]3)[cH:17][cH:18]1)[c:9]([CH2:11][CH3:12])[cH:10]2