HRID2146647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID10009

3-Pyridinamine

C5H6N2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)NCC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccnc(Cl)c4)C(C)(C)C3=O)cc21

HCID57625992

未命名化合物

PRODUCTS

生成物

结构：CC(C)NCC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccnc(Nc5cccnc5)c4)C(C)(C)C3=O)cc21

HCID57626031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31485d4e8051466883dd3e4a9a421b57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:35])[N:11]([c:17]3[cH:18][cH:19][c:20]4[c:24]([cH:25]3)[N:23]([C:26]([CH2:27][NH:28][CH:29]([CH3:30])[CH3:31])=[O:32])[CH2:22][C:21]4([CH3:33])[CH3:34])[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1.[Cl:56][CH2:57][Cl:58].[Cs+:47].[Cs+:48].[NH2:36][c:37]1[cH:38][n:39][cH:40][cH:41][cH:42]1.[Pd+2:63]>>[c:2]1([NH:36][c:37]2[cH:38][n:39][cH:40][cH:41][cH:42]2)[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:35])[N:11]([c:17]3[cH:18][cH:19][c:20]4[c:24]([cH:25]3)[N:23]([C:26]([CH2:27][NH:28][CH:29]([CH3:30])[CH3:31])=[O:32])[CH2:22][C:21]4([CH3:33])[CH3:34])[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1