HRID173941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O

HCID4293568

未命名化合物

HCID22147672

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)N1CCCCC1c1ncc(-c2ccccc2)o1

HCID66892758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8ccde183c1cc4c36a38a2e577fe41783
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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