HRID151560

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：COC(=O)c1cccc2c1nc(NC(=O)c1cc3ccccc3cn1)n2Cc1ccccc1

HCID58724432

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2c(C(=O)O)cccc2n1Cc1ccccc1)c1cc2ccccc2cn1

HCID66940536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-731fbe78c69a4462a82bb2c915eb19ea
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

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