HRID2310898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID402

Hydrogen sulfide

H2S

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

8 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID5360545

Sodium

结构：COc1ccc(C(=O)c2ccc(C(=O)NCCOc3cccc(C#N)c3)cc2)cc1OC

HCID22645151

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)c2ccc(C(=O)NCCOc3cccc(C(=N)N)c3)cc2)cc1OC

HCID9872556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d22b27520614ec1b42508be42304c5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:6][CH2:7][CH2:8][NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([C:17]([c:18]3[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][cH:23]3)=[O:28])[cH:15][cH:16]2)=[O:29])[cH:30][cH:31][cH:32]1.[CH3:46][I:47].[CH3:49][C:50](=[O:51])[O-:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl-:43].[Cl-:45].[Mg+2:44].[NH4+:48].[Na:36].[OH2:33].[OH2:34].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[SH2:35]>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]([O:6][CH2:7][CH2:8][NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([C:17]([c:18]3[cH:19][c:20]([O:26][CH3:27])[c:21]([O:24][CH3:25])[cH:22][cH:23]3)=[O:28])[cH:15][cH:16]2)=[O:29])[cH:30][cH:31][cH:32]1)=[NH:48]