HRID2345956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)OC(C)C)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036258

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)OC(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

HCID178440081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12812f85114f49948d8422c2c291ca9e
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

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