HRID673445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID256687

Methyl 4-(bromomethyl)benzoate

C9H9BrO2

结构：COc1cc(OC)c(CN(OCc2ccccc2)C(=O)CCC2C(=O)OC(C)(C)OC2=O)c(OC)c1

HCID22494961

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CC2(CCC(=O)N(Cc3c(OC)cc(OC)cc3OC)OCc3ccccc3)C(=O)OC(C)(C)OC2=O)cc1

HCID22494974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4da4a4eb379e45c7bad1ff900fcae765
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:37][CH2:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47][cH:48]1.[C:49](=[O:50])([O-:51])[O-:52].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][N:9]([C:10]([CH2:11][CH2:12][CH:13]1[C:14](=[O:22])[O:15][C:16]([CH3:20])([CH3:21])[O:17][C:18]1=[O:19])=[O:23])[CH2:24][c:25]1[c:26]([O:35][CH3:36])[cH:27][c:28]([O:33][CH3:34])[cH:29][c:30]1[O:31][CH3:32].[CH2:56]([N+:57]([CH2:58][CH3:59])([CH2:60][CH3:61])[CH2:62][CH3:63])[c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH3:70][C:71]#[N:72].[Cl-:55].[K+:53].[K+:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][N:9]([C:10]([CH2:11][CH2:12][C:13]1([CH2:38][c:39]2[cH:40][cH:41][c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47][cH:48]2)[C:14](=[O:22])[O:15][C:16]([CH3:20])([CH3:21])[O:17][C:18]1=[O:19])=[O:23])[CH2:24][c:25]1[c:26]([O:35][CH3:36])[cH:27][c:28]([O:33][CH3:34])[cH:29][c:30]1[O:31][CH3:32]