HRID1213165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID7918

Acetic anhydride

C4H6O3

反应SMILES：CC(C)(c1ccccc1Cl)c1nc(C2CCCN2)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1

HCID44177285

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)N1CCCC1c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(C(C)(C)c2ccccc2Cl)n1

HCID44177287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cf82b818baeb45e98d9176f2683f9f2e
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

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