HRID154327

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

HCID7852

Propylamine

C3H9N

HCID19660

Carbonate

CO3-2

HCID83717

Copper iodide (CuI2)

CuI2

结构：Cc1cc(I)ccc1-n1ncc2c(OC3CCN(C(=O)OC(C)C)CC3)ncnc21

HCID57496369

未命名化合物

PRODUCTS

生成物

结构：CCCNc1ccc(-n2ncc3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc32)c(C)c1

HCID57496303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13bbd54dc2ea4e8e98b87d4a9dcd60a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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