HRID959181

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+

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3O)[nH]c2c1

HCID11995228

Methyl 3-cyclohexyl-2-(2-hydroxyphenyl)-1H-indole-6-carboxylate

C22H23NO3

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)OC)Oc1ccccc1-3

HCID66674678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed65c72032cb4c1389e8093205fc3bf0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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