HRID2149125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

结构：CCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036080

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178437628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edde1881278a40b1942de0719a7d00c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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