HRID105793

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

HCID24350

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

CuI

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

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(N3CCN(C(=O)OC(C)(C)C)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68510616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b47e806172934941baf525dd307f61bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[CH3:58][S:59]([CH3:60])=[O:61].[Cu:56][I:57].[K+:50].[K+:51].[N:29]1([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[NH:42]1[CH2:43][CH2:44][CH2:45][CH:46]1[C:47]([OH:48])=[O:49].[O-:52][C:53]([O-:54])=[O:55]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:32]3[CH2:31][CH2:30][N:29]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:34][CH2:33]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