HRID1570241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16988

2,3-Dichloropyridine

C5H3Cl2N

HCID19660

Carbonate

CO3-2

结构：COCc1nc2c(c(Nc3ccc(C(C)(C)C)cc3)n1)CCNC2

HCID59021476

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COCc1nc2c(c(Nc3ccc(C(C)(C)C)cc3)n1)CCN(c1ncccc1Cl)C2

HCID12004366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-109b9bdb892b41c4bd888e9e8087f5b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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