HRID1231142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID417391

N,N-Dimethylpiperidin-4-amine

C7H16N2

结构：COc1ccc(Cn2nc(I)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID67221003

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(N3CCC(N(C)C)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68513887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80d6fb94eb9d4e5eb492c85dbc60b990
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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