HRID193659

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

HCID4142526

tert-Butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

C11H20N2O2

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(N3CC4CN(C(=O)OC(C)(C)C)CC4C3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68514742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33680101034f47b59e0aa4387baf5e44
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

[CH2:29]1[N:30]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:31][CH:32]2[CH:33]1[CH2:34][NH:35][CH2:36]2.[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.[CH3:60][S:61]([CH3:62])=[O:63].[Cu:58][I:59].[K+:52].[K+:53].[NH:44]1[CH2:45][CH2:46][CH2:47][CH:48]1[C:49]([OH:50])=[O:51].[O-:54][C:55]([O-:56])=[O:57]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:35]3[CH2:34][CH:33]4[CH2:29][N:30]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:31][CH:32]4[CH2:36]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