HRID2141122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID4610

1,2-Cyclohexanediamine

C6H14N2

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

HCID15272624

未命名化合物

HCID58015544

未命名化合物

PRODUCTS

生成物

结构：O=c1c2cc(-c3ccccc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1

HCID24857597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ad6b79aef8c4dd5959b4ae9374397e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[CH3:55][OH:56].[Cs+:38].[Cs+:39].[Cu:57][I:58].[I: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.[NH2:40][CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH:46]1[NH2:47].[c:18]1(-[c:24]2[cH:25][c:26]3[c:27](=[O:33])[nH:28][cH:29][cH:30][c:31]3[o:32]2)[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[c:2]1(-[n:28]2[c:27](=[O:33])[c:26]3[cH:25][c:24](-[c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[o:32][c:31]3[cH:30][cH:29]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