HRID2155735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

反应SMILES：CC(C)(C)OC(=O)N1CCC(O)(c2ccc(C3(C(=O)O)CC3)cc2)CC1

HCID66661592

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N1CC=C(c2ccc(C3(C(=O)O)CC3)cc2)CC1

HCID66661833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e5bbe775e535479f97ec76a9952e8d39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([c:15]2[cH:16][cH:17][c:18]([C:21]3([C:24](=[O:25])[OH:26])[CH2:22][CH2:23]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[C:39]([O:40][C:41]([O:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])=[O:50])([CH3:51])([CH3:52])[CH3:53].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]=[C:11]([c:15]2[cH:16][cH:17][c:18]([C:21]3([C:24](=[O:25])[OH:26])[CH2:22][CH2:23]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1