HRID2337174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

2 次

HCID11575

Benzene, iodo-

C6H5I

结构：CC1(C)CC(OC(=O)NNC(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC(C)(C)N1OC1CCCCC1

HCID54341087

未命名化合物

PRODUCTS

生成物

HCID53750351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a0adae83cd9457f87fbc4d616340ebb
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

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