HRID294732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID238669

3-Acetoxybenzoic acid

C9H8O4

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC

HCID66616407

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4cccc(OC(C)=O)c4)CC3)C(=O)C2(C)C)cc1OC

HCID46202721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62a8f01dfcdb46fda9486a5091fcea8e
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:25]([CH3:26])(=[O:27])[O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH:38]1([N:39]=[C:40]=[N:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Cl:53][CH2:54][Cl:55]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2=[N:15][N:14]([CH:16]3[CH2:17][CH2:18][N:19]([C:32]([c:31]4[cH:30][c:29]([O:28][C:25]([CH3:26])=[O:27])[cH:37][cH:36][cH:35]4)=[O:33])[CH2:20][CH2:21]3)[C:13](=[O:22])[C:12]2([CH3:23])[CH3:24])[cH:6][cH:7][c:8]1[O:9][CH3:10]