HRID829834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(N(C(=O)CN2C(=O)C(Cc3nn(Cc4ccccc4)c4ccccc34)(OC)C(=O)N(c3cccnc3)c3ccccc32)C(C)C)cc1

HCID67696815

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(C(=O)CN2C(=O)C(Cc3n[nH]c4ccccc34)(OC)C(=O)N(c3cccnc3)c3ccccc32)C(C)C)cc1

HCID178492389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75943ee3097043c2805babac07508561
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([CH2:17][C:18]2([O:52][CH3:53])[C:19](=[O:51])[N:20]([c:45]3[cH:46][n:47][cH:48][cH:49][cH:50]3)[c:21]3[c:22]([cH:41][cH:42][cH:43][cH:44]3)[N:23]([CH2:26][C:27](=[O:28])[N:29]([c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[CH:38]([CH3:39])[CH3:40])[C:24]2=[O:25])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12.[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[CH:54]([OH:55])=[O:56]>>[nH:8]1[n:9][c:10]([CH2:17][C:18]2([O:52][CH3:53])[C:19](=[O:51])[N:20]([c:45]3[cH:46][n:47][cH:48][cH:49][cH:50]3)[c:21]3[c:22]([cH:41][cH:42][cH:43][cH:44]3)[N:23]([CH2:26][C:27](=[O:28])[N:29]([c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[CH:38]([CH3:39])[CH3:40])[C:24]2=[O:25])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12