HRID2339702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76792

p-Anisic acid, hydrazide

C8H10N2O2

结构：COC(=O)CCc1cc(C)c(-c2cc3ccc(C(=O)O)cc3[nH]2)c(C)c1

HCID66966205

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1cc(C)c(-c2cc3ccc(C(=O)NNC(=O)c4ccc(OC)cc4)cc3[nH]2)c(C)c1

HCID66966407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5145276e5d944a0e8e0b8cbd73b06948
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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