HRID672988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

结构：c1cncc(C(Nc2cccnc2N2CCOc3ccccc32)c2cccnc2)c1

HCID16678074

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccnc1N1CCOc2ccccc21)C(c1cccnc1)c1cccnc1

HCID24760192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef3537f6f869430abe04eb86b01cf32a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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