HRID2340715

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

HCID6659

Methyl 2-chloroacrylate

C4H5ClO2

HCID19660

Carbonate

CO3-2

HCID45719

1-Butanaminium, N,N,N-triethyl-

C10H24N+

HCID167693

未命名化合物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3N)[nH]c2c1

HCID11995001

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)OC)Nc1ccccc1-3

HCID66673930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04b7590548bf43ee8569d22457a02439
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:20](=[O:21])([O-:22])[O-:23].[CH2:9]([N+:10]([CH2:11][CH3:12])([CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18])[CH3:19].[CH3:52][Si:53]([CH:54]=[N+:55]=[N-:56])([CH3:57])[CH3:58].[CH3:59][C:60]#[N:61].[Cl-:8].[Cl:1][C:2]([C:3](=[O:4])[O:5][CH3:6])=[CH2:7].[K+:24].[K+:25].[NH2:26][c:27]1[c:28](-[c:33]2[nH:34][c:35]3[cH:36][c:37]([C:48](=[O:49])[O:50][CH3:51])[cH:38][cH:39][c:40]3[c:41]2[CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[cH:29][cH:30][cH:31][cH:32]1>>[CH:2]1([C:3](=[O:4])[O:5][CH3:6])[CH2:7][n:34]2[c:33]([c:41]([CH:42]3[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]3)[c:40]3[c:35]2[cH:36][c:37]([C:48](=[O:49])[O:50][CH3:51])[cH:38][cH:39]3)-[c:28]2[c:27]([cH:32][cH:31][cH:30][cH:29]2)[NH:26]1