HRID1116089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID593005

3-Amino-2,6-dimethoxypyridine

C7H10N2O2

结构：O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCCCn2c1nc(-c1ccncn1)cc2=O

HCID67178000

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)C2CCCCn3c2nc(-c2ccncn2)cc3=O)c(OC)n1

HCID44594502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba39fc04e70a4c4b81aad617e0e1ecc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:31][O:32][c:33]1[n:34][c:35]([O:40][CH3:41])[cH:36][cH:37][c:38]1[NH2:39].[CH3:42][C:43]#[N:44].[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[Cl:55][CH2:56][Cl:57].[N+:1]([c:2]1[cH:3][cH:4][c:5]([O:6][C:11](=[O:12])[CH:13]2[c:14]3[n:15]([c:20](=[O:30])[cH:21][c:22](-[c:24]4[n:25][cH:26][n:27][cH:28][cH:29]4)[n:23]3)[CH2:16][CH2:17][CH2:18][CH2:19]2)[cH:7][cH:8]1)([O-:9])=[O:10].[OH2:54]>>[C:11](=[O:12])([CH:13]1[c:14]2[n:15]([c:20](=[O:30])[cH:21][c:22](-[c:24]3[n:25][cH:26][n:27][cH:28][cH:29]3)[n:23]2)[CH2:16][CH2:17][CH2:18][CH2:19]1)[NH:39][c:38]1[c:33]([O:32][CH3:31])[n:34][c:35]([O:40][CH3:41])[cH:36][cH:37]1