HRID1136463

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6212

Chloroform

CHCl3

HCID7841

Allyl bromide

C3H5Br

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

结构：CCCc1nc2c(n1Cc1ccc(-c3ccccc3C(=O)OC(C)(C)C)cc1)C(C(=O)OCC)NCC2

HCID19933002

未命名化合物

PRODUCTS

生成物

结构：C=CCN1CCc2nc(CCC)n(Cc3ccc(-c4ccccc4C(=O)OC(C)(C)C)cc3)c2C1C(=O)OCC

HCID15291712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47792af6c2a1423f832ddf32f9e46157
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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