HRID87556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID56840192

未命名化合物

结构：Nc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(OCC(F)F)nc1N

HCID86669301

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NCc1ccc(Cl)c(NC(=S)Nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc2N)c1Cl

HCID86669309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f89d100f8324c6b828f4621f3173f52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[cH:12][cH:13][c:14]([Cl:19])[c:15]1[N:16]=[C:17]=[S:18].[NH2:20][c:21]1[c:22]([NH2:45])[n:23][c:24]([O:40][CH2:41][CH:42]([F:43])[F:44])[c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH2:31][CH:32]([C:35]([F:36])([F:37])[F:38])[CH2:33][CH2:34]2)[cH:39]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[cH:12][cH:13][c:14]([Cl:19])[c:15]1[NH:16][C:17](=[S:18])[NH:20][c:21]1[c:22]([NH2:45])[n:23][c:24]([O:40][CH2:41][CH:42]([F:43])[F:44])[c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH2:31][CH:32]([C:35]([F:36])([F:37])[F:38])[CH2:33][CH2:34]2)[cH:39]1