HRID687482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66831

Dimethyl 5-aminoisophthalate

C10H11NO4

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：COC(=O)c1cc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C(=O)OC)c1

HCID24811000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ebcf2031de469b9356f9e27551a3db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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.[CH2:61]([Cl:62])[CH2:63][Cl:64].[CH3:22][O:23][C:24]([c:25]1[cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][c:33]([NH2:35])[cH:34]1)=[O:36].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[NH:35][c:33]4[cH:32][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:26][c:25]([C:24]([O:23][CH3:22])=[O:36])[cH:34]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