HRID1549572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID2756058

Tert-butyl 1,4-diazepane-1-carboxylate

C10H20N2O2

结构：O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1cnc(Cl)cn1

HCID11153981

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(c2cnc(C(=O)Nc3ccc(F)cc3C(=O)Nc3ccc(Cl)cn3)cn2)CC1

HCID11180606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07db2c640076466fa3fc373bbf7252d3
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:28](=[O:29])([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40][CH2:41]1.[CH3:48][S:49]([CH3:50])=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[NH:10][c:11]2[c:12]([C:13](=[O:14])[NH:15][c:16]3[n:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:6][cH:7]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[c:2]1([N:38]2[CH2:37][CH2:36][N:35]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:41][CH2:40][CH2:39]2)[n:3][cH:4][c:5]([C:8](=[O:9])[NH:10][c:11]2[c:12]([C:13](=[O:14])[NH:15][c:16]3[n:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:6][cH:7]1