HRID826905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

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

HCID19036137

未命名化合物

PRODUCTS

生成物

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

HCID178440096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0aeafbc85484e4a9108ebdb84021543
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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