HRID2152257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

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

结构：CCC(=O)n1[nH]c(=O)c(Cc2ccccc2)c1C(C)C

HCID67349083

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)n1nc(OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C)c(Cc2ccccc2)c1C(C)C

HCID178459996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2826e18c1224896a7660b7f5007e241
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:21](=[O:22])([O-:23])[O-:24].[C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:32])[O:33][CH:34]1[CH:35]([Br:62])[O:36][CH:37]([CH2:54][O:55][C:56]([C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])[CH:38]([O:47][C:48]([C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[CH:39]1[O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9](=[O:20])[nH:10][n:11]([C:16]([CH2:17][CH3:18])=[O:19])[c:12]1[CH:13]([CH3:14])[CH3:15].[CH3:63][C:64]#[N:65].[K+:25].[K+:26]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([O:20][CH:35]2[CH:34]([O:33][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH:39]([O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:38]([O:47][C:48]([C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[CH:37]([CH2:54][O:55][C:56]([C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])[O:36]2)[n:10][n:11]([C:16]([CH2:17][CH3:18])=[O:19])[c:12]1[CH:13]([CH3:14])[CH3:15]