HRID213551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID83717

Copper iodide (CuI2)

CuI2

HCID3870744

Methanesulfinate

CH3O2S-

结构：CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(Br)cc2)CC1

HCID69062843

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(S(C)(=O)=O)cc2)CC1

HCID24897242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f80f5c47cd0405188c41522a02db41c
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

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