HRID112093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CC(=O)OC(C)(C)C(=O)N1CC(Cc2nc3c(N4CCOCC4)nc(-n4c(C)nc5ccccc54)nc3n2C)C1

HCID59606028

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CN(C(=O)C(C)(C)O)C3)n(C)c2n1

HCID59605209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8528991cd3b41b8967b53f8882d3aff
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

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