HRID2342880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

结构：C=CCOC(=O)c1c(Oc2nc(OC)cc(OC)n2)ccc2oc(C)c(C(=O)N(C)C)c12

HCID19962758

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)nc(Oc2ccc3oc(C)c(C(=O)N(C)C)c3c2C(=O)O)n1

HCID19962787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-289f81b0585d41df95eb5204c3edfa8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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