HRID210570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

HCID1514370

(3-Methylpyridin-2-yl)methanamine

C7H10N2

HCID15980818

7-Bromo-3-chloro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one

C14H7BrClNO

PRODUCTS

生成物

结构：Cc1cccnc1CNc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1

HCID15981077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b026c91fcd0437eb182e114704a6acf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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