HRID321007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID609608

4-Cyanostilbene

C15H11N

HCID21972543

未命名化合物

HCID53828711

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID54050356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4510cdaaa1df432e8665744fc92e0c65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1.[C:37](=[NH:38])([O-:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH2:18]([O:19][C:20]([c:21]1[cH:22][cH:23][c:24]([CH:25]=[CH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34]1)=[NH:36])[CH3:35].[CH3:47][OH:48].[CH3:49][CH2:50][OH:51].[ClH:17].[NH3:46].[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[C:1](=[NH:2])([c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1)[NH2:36].[ClH:17]