HRID2128243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID98075

Chloroethylene carbonate

C3H3ClO3

结构：CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

HCID135415867

Azilsartan

C25H20N4O5

PRODUCTS

生成物

结构：CCOc1nc2cccc(C(=O)OC3COC(=O)O3)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

HCID135848670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81eddf774c9b406c9ee32159d8333031
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])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][o:24][c:25](=[O:27])[nH:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:28]([C:32](=[O:33])[OH:34])[cH:29][cH:30][cH:31]2.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:35][CH:36]1[O:37][C:38](=[O:41])[O:39][CH2:40]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][o:24][c:25](=[O:27])[nH:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:28]([C:32](=[O:33])[O:34][CH:36]1[O:37][C:38](=[O:41])[O:39][CH2:40]1)[cH:29][cH:30][cH:31]2