HRID2349217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID80604

Cyclohexanamine, 4-methyl-

C7H15N

结构：O=C(O)C1CC1CN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1

HCID23112421

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(NC(=O)C2CC2CN2CCN(c3csc4cc(C(F)(F)F)ccc34)CC2)CC1

HCID68460185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ebc0c78c7154578b6d5bcd53cc4fad0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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