HRID150169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2906

Cyclopentylamine

C5H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(Nc1sc2c(c1C(=O)O)C1CCC(C2)O1)c1c(F)cccc1C(F)(F)F

HCID66846187

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1sc2c(c1C(=O)NC1CCCC1)C1CCC(C2)O1)c1c(F)cccc1C(F)(F)F

HCID25002741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72c58de3719f4311bfb085be1d9abbc3
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

[CH:29]1([NH2:34])[CH2:30][CH2:31][CH2:32][CH2:33]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:18](=[O:19])[OH:20])[c:9]3[c:10]([s:11]2)[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]3[O:17]2)[c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:18](=[O:20])[NH:34][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33]3)[c:9]3[c:10]([s:11]2)[CH2:12][CH:13]2[CH2:14][CH2:15][CH:16]3[O:17]2)[c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]1