HRID203623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11400

Ethyl 3-aminobenzoate

C9H11NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

HCID625381

[4-(1-Adamantyl)phenoxy]acetic acid

C18H22O3

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1

HCID24810894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71b8ff43a5eb473d8f0aaa7bfdf7eeb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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