HRID194684

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

HCID6422

未命名化合物

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-43993421a41a4be39de05aa7f434c37a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:38]([OH:39])(=[O:40])[CH3:41].[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:56]([Cl:57])[Cl:58].[CH3:53][C:54]#[N:55].[I:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]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.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[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