HRID2130037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID11575

Benzene, iodo-

C6H5I

结构：CN1C(C)(C)CC(OC(=O)NNC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

HCID53819262

未命名化合物

PRODUCTS

生成物

HCID54508599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4e7b7212a7647cc8fcb461392b446da
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

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