HRID108453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11041782

2-TERT-BUTYL-1,3-DIISOPROPYLISOUREA

C11H24N2O

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)[nH]c2c1

HCID11416343

Methyl 3-cyclohexyl-2-phenyl-1H-indole-6-carboxylate

C22H23NO2

HCID22499839

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)[nH]c2c1

HCID68436344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a5bfdab815c4b63b7ab8ebc30e62a06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:42](=[NH:43])([O-:44])[NH2:45].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH:1]1([c:7]2[c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[nH:9][c:10]3[cH:11][c:12]([C:16]([O:17][CH3:18])=[O:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:28]([NH:29][C:32](=[N:30][CH:31]([CH3:38])[CH3:39])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])([CH3:40])[CH3:41].[K+:27].[OH-:26].[OH2:51]>>[CH:1]1([c:7]2[c:8](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[nH:9][c:10]3[cH:11][c:12]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:44])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1