HRID688308

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

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID2735280

1-Amino-11-azido-3,6,9-trioxaundecane

C8H18N4O3

结构：CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(Br)c2)C1

HCID22386903

4-(3-Bromophenyl)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinoline

C16H14BrCl2N

PRODUCTS

生成物

结构：CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NCCOCCOCCOCCN=[N+]=[N-])c2)C1

HCID86699380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dc31a62c3a943e79922cb1f0bedb8fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][N:10]([CH3:20])[CH2:11][c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][c:17]32)[cH:5][cH:6][cH:7]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][S:51]([CH3:52])=[O:53].[Cu:55][I:56].[K+:48].[K+:49].[N:21](=[N+:22]=[N-:23])[CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34][NH2:35].[NH:36]1[CH2:37][CH2:38][CH2:39][CH:40]1[C:41]([OH:42])=[O:43].[OH2:54]>>[c:2]1([NH:35][CH2:34][CH2:33][O:32][CH2:31][CH2:30][O:29][CH2:28][CH2:27][O:26][CH2:25][CH2:24][N:21]=[N+:22]=[N-:23])[cH:3][c:4]([CH:8]2[CH2:9][N:10]([CH3:20])[CH2:11][c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][c:17]32)[cH:5][cH:6][cH:7]1