HRID2151079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

结构：Cc1cc(Nc2nc(Nc3ccc(C4CCNCC4)c4ccccc34)ncc2Cl)n[nH]1

HCID58257121

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3ccc(C4CCN(CC(O)C(F)(F)F)CC4)c4ccccc34)ncc2Cl)n[nH]1

HCID58257123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1e49598357e434286afb7f04c34e765
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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