HRID86517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID85247

Silane, iodotrimethyl-

C3H9ISi

结构：COCC(C)Oc1cc(Oc2ccc(-c3cc[nH]n3)cc2)cc(C(=O)Nc2ccn(C)n2)c1

HCID178495412

未命名化合物

PRODUCTS

生成物

结构：CC(CO)Oc1cc(Oc2ccc(-c3cc[nH]n3)cc2)cc(C(=O)Nc2ccn(C)n2)c1

HCID178460375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-836eecfb298c41e7bbdcc9d247153328
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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