HRID702293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID546323

未命名化合物

结构：COc1ccc(C=C(C#N)c2cc(OC)c(OC)c(OC)c2)cc1N

HCID54102203

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID194097

Phenylalanine amide

C9H12N2O

HCID54102203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c0a282f23b04fd3ab16e62c0728828a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])(=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[NH2:19].[CH3:52][CH2:53][O:54][CH2:55][CH3:56].[Cl:57][CH2:58][Cl:59].[ClH:45].[NH2:20][c:21]1[cH:22][c:23]([CH:29]=[C:30]([C:31]#[N:32])[c:33]2[cH:34][c:35]([O:43][CH3:44])[c:36]([O:41][CH3:42])[c:37]([O:39][CH3:40])[cH:38]2)[cH:24][cH:25][c:26]1[O:27][CH3:28].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[ClH:45].[NH2:20][c:21]1[cH:22][c:23]([CH:29]=[C:30]([C:31]#[N:32])[c:33]2[cH:34][c:35]([O:43][CH3:44])[c:36]([O:41][CH3:42])[c:37]([O:39][CH3:40])[cH:38]2)[cH:24][cH:25][c:26]1[O:27][CH3:28].[NH2:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[NH2:19]