HRID1568042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2776462

6-(Morpholin-4-yl)pyridine-3-sulfonyl chloride

C9H11ClN2O3S

结构：CC(C)(C)CC1CNC(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID67095372

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1CN(S(=O)(=O)c2ccc(N3CCOCC3)nc2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

HCID67095374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b08a103f9cef46aa8b985b9db1828677
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[NH:9][CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:54][CH2:55][Cl:56].[O:38]1[CH2:39][CH2:40][N:41]([c:44]2[cH:45][cH:46][c:47]([S:50](=[O:51])(=[O:52])[Cl:53])[cH:48][n:49]2)[CH2:42][CH2:43]1>>[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[N:9]([S:50]([c:47]3[cH:46][cH:45][c:44]([N:41]4[CH2:40][CH2:39][O:38][CH2:43][CH2:42]4)[n:49][cH:48]3)(=[O:51])=[O:52])[CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1