HRID86631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7167

Benzoic anhydride

C14H10O3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O

HCID426058

未命名化合物

PRODUCTS

生成物

HCID242

Benzoate

C7H5O2-

HCID426058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fffe7b3d091b4bb5b97b3d2211a9776d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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