HRID206902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID121599

Tetrahydro-4H-pyran-4-one

C5H8O2

结构：CCC(CC)c1cc(C)nn2c(-c3sc(Br)cc3C)c(C)nc12

HCID57932943

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(C4(O)CCOCC4)cc3C)c(C)nc12

HCID57933051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c8f045bda314377b04564fbefb1cc22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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