HRID2327453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID72879

Methanesulfonamide

CH5NO2S

结构：CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21

HCID11527738

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21

HCID16733051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-211a947733854b4db7f4f366335df90d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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