HRID158158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID23994

Zinc

HCID613883

4-Iodo-3,5-dimethylisoxazole

C5H6INO

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(-c4c(C)noc4C)cc3C)c(C)nc12

HCID57932930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c7a81802b4b4a8592cf1502c170aa2c
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

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