HRID318198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID625381

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

C18H22O3

HCID178527226

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

HCID3470321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d92ee938640e42eaabd016e5839c67da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[CH2:57]([Cl:58])[CH2:59][Cl:60].[CH3:22][O:23][C:24]([c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1)=[O:32].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH:33][SH:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[N:41]=[CH:42]1>>[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[NH:31][c:28]4[cH:27][cH:26][c:25]([C:24]([O:23][CH3:22])=[O:32])[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