HRID1229424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

结构：CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(C)C)cc5)C4)c3)nc2n(CCC)c1=O

HCID57988759

未命名化合物

PRODUCTS

生成物

结构：CCCn1c(=O)c2c(nc(-c3cnn(CC4CC(=O)N(c5ccc(C(C)C)cc5)C4)c3)n2C)n(CCC)c1=O

HCID57988800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41391fcc38864e67ba459cd6a70f8a98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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