HRID122553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID19660

Carbonate

CO3-2

反应SMILES：CCOC(=O)COC1CCN(C(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(C)n(-c3ccc(C#N)cc3)c2=O)CC1

HCID15435502

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CCOC(=O)COC1CCN(C(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(C)n(-c3ccc(C(=N)N)cc3)c2=O)CC1

HCID15435503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4391f4d9814b4438a3e02a9d369d086d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13]([CH3:41])[n:14](-[c:33]3[cH:34][cH:35][c:36]([C:39]#[N:40])[cH:37][cH:38]3)[c:15](=[O:32])[c:16]2[C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([O:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:23][CH2:24]2)[cH:10][cH:11]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][CH2:49][OH:50].[ClH:1].[NH4+:46].[NH4+:47]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13]([CH3:41])[n:14](-[c:33]3[cH:34][cH:35][c:36]([C:39]([NH2:40])=[NH:46])[cH:37][cH:38]3)[c:15](=[O:32])[c:16]2[C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([O:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:23][CH2:24]2)[cH:10][cH:11]1.[ClH:1]