HRID662547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID231360

Piperazin-2-one

C4H8N2O

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(CBr)CC1

HCID86595530

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(CN2CCNC(=O)C2)CC1

HCID69273762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7925d8aa3d0d485287e6636524db4967
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

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