HRID95533

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

HCID20119121

1-(2-Methoxyethyl)piperidin-4-amine

C8H18N2O

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

HCID67221003

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCC(Nc2nn(Cc3ccc(OC)cc3)c3nccc(Oc4ccc(N)cc4F)c23)CC1

HCID68513466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e30d82da4fef4bf7a726f8f77b1dcbf8
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.[CH3:29][O:30][CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][CH:36]([NH2:39])[CH2:37][CH2:38]1.[CH3:56][S:57]([CH3:58])=[O:59].[Cu:54][I:55].[K+:48].[K+:49].[NH:40]1[CH2:41][CH2:42][CH2:43][CH:44]1[C:45]([OH:46])=[O:47].[O-:50][C:51]([O-:52])=[O:53]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([NH:39][CH:36]3[CH2:35][CH2:34][N:33]([CH2:32][CH2:31][O:30][CH3:29])[CH2:38][CH2:37]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