HRID1569468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6362

2-Iodopropane

C3H7I

HCID19660

Carbonate

CO3-2

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1

HCID77275259

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nc(CC2CCN(C(=O)C3CC3)C2)n(-c2ccc(-c3ccc4occc4c3)cc2)c1=O

HCID77444212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-344104c6522f4cb1b31aef6428b5e168
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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