HRID112536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID104967

Cesium(1+)

Cs+

2 次

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

HCID57625541

未命名化合物

HCID58015558

未命名化合物

PRODUCTS

生成物

结构：O=c1c2cc(-c3ccc(Cl)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1

HCID25017033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8027b775e6a1484694d1397a12ab05c4
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

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:11][CH2:12][N:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)[c:8]2[cH:9][cH:10]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][NH:42][CH:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH:48]1[NH:49][CH3:50].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[cH:26][c:27]3[c:28](=[O:34])[nH:29][cH:30][cH:31][c:32]3[o:33]2)[cH:23][cH:24]1.[Cl:58][CH2:59][Cl:60].[Cs+:39].[Cs+:40].[Cu:62][I:63].[OH2:61]>>[c:2]1(-[n:29]2[c:28](=[O:34])[c:27]3[cH:26][c:25](-[c:22]4[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]4)[o:33][c:32]3[cH:31][cH:30]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:11][CH2:12][N:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)[c:8]2[cH:9][cH:10]1