HRID163784

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(Nc3cc(C)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1

HCID44612616

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC(O)C(F)(F)F)CC4)cc3F)ncc2Cl)n[nH]1

HCID44611769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26679ff5256c476092b626b0b70b0175
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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