HRID190721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

结构：CCCCCCCCCCCCCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2

HCID20287876

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCCC(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccncc1-2

HCID20287908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e2bead61e0f4df2bb0ea9a175d4b3dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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