HRID1232249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)C(=O)OCC1OC(Br)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID14583857

未命名化合物

HCID178518963

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCC1OC(Oc2n[nH]c3nccc(CCc4ccccc4)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID178447509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2138637446624fb783a5540db0de825f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:19](=[O:20])([O-:21])[O-:22].[C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])(=[O:30])[O:31][CH:32]1[CH:33]([Br:60])[O:34][CH:35]([CH2:52][O:53][C:54]([C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[CH:36]([O:45][C:46]([C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH:37]1[O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44].[CH3:61][C:62]#[N:63].[K+:23].[K+:24].[OH2:64].[c:1]1([CH2:7][CH2:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[nH:15][n:16][c:17]3[OH:18])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][c:9]2[c:10]3[c:11]([n:12][cH:13][cH:14]2)[nH:15][n:16][c:17]3[O:18][CH:33]2[CH:32]([O:31][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:37]([O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH:36]([O:45][C:46]([C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH:35]([CH2:52][O:53][C:54]([C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[O:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1