HRID1562231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCC1CC(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID58557070

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(OC(=O)Nc2ccccc2)CC1c1nnc2cnc3c(ccn3S(=O)(=O)c3ccc(C)cc3)n12

HCID77394472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fca227ec1e5f43d99638ea781a790cc5
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:8]([O:9][CH:10]1[CH2:11][CH:12]([CH2:37][CH3:38])[CH:13]([c:15]2[n:16][n:17][c:18]3[n:19]2[c:20]2[c:21]([n:22][cH:23]3)[n:24]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]3)[cH:25][cH:26]2)[CH2:14]1)([O:39][c:41]1[cH:42][cH:43][c:44]([N+:45]([O-:46])=[O:47])[cH:48][cH:49]1)=[O:40].[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[CH3:50][N:51]([c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1)[CH3:58].[NH2:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]([O:9][CH:10]1[CH2:11][CH:12]([CH2:37][CH3:38])[CH:13]([c:15]2[n:16][n:17][c:18]3[n:19]2[c:20]2[c:21]([n:22][cH:23]3)[n:24]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]3)[cH:25][cH:26]2)[CH2:14]1)=[O:39]