HRID1200792

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

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

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(NC3CCN(C)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68516372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b68cd258264d404bb260ce82d6521871
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]1[CH2:31][CH2:32][CH:33]([NH2:36])[CH2:34][CH2:35]1.[CH3:51][S:52]([CH3:53])=[O:54].[Cl:57][CH2:58][Cl:59].[Cu:55][I:56].[K+:45].[K+:46].[NH:37]1[CH2:38][CH2:39][CH2:40][CH:41]1[C:42]([OH:43])=[O:44].[O-:47][C:48]([O-:49])=[O:50]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([NH:36][CH:33]3[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]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