HRID665200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9963

3-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Nc1cccc(Sc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57505470

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(Sc2ccc3nc(NC(=O)C4CC4)cn3n2)c1)c1cccc(C(F)(F)F)c1

HCID24767996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbac5c49dccc498a8c55708ebcb35534
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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