HRID283829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CC(C)(C)OC(=O)N1CCc2c(n(CCC(=O)O)c3ccccc23)CC1

HCID22397010

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN(C(=O)OC(C)(C)C)CC3)cc1

HCID22396876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef8b11a29c2847fcb04627844fda77df
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[n:12]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2[CH2:20][CH2:21]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]1.[CH3:36][N:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][n:43]1)[CH3:44].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:45]([N:46]=[C:47]=[N:48][CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[n:12]([CH2:22][CH2:23][C:24](=[O:26])[NH:35][c:32]3[cH:31][cH:30][c:29]([O:28][CH3:27])[cH:34][cH:33]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2[CH2:20][CH2:21]1