HRID185342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7366

tert-Butylbenzene

C10H14

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24648

Sulfuryl chloride

Cl2O2S

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(c1cccs1)N(CC1C2CNCC21)c1ccc(N2CCOCC2)c(F)c1

HCID72401275

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)N2CC3C(CN(C(=O)c4cccs4)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

HCID86760807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5cd9c7a5a0f444599e1373e389bca71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:43]([CH3:44])([CH3:45])([CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[CH:1]12[CH2:2][NH:3][CH2:4][CH:5]1[CH:6]2[CH2:7][N:8]([C:9](=[O:10])[c:11]1[s:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][c:18]([F:28])[c:19]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[S:38](=[O:39])(=[O:40])([Cl:41])[Cl:42]>>[CH:1]12[CH2:2][N:3]([S:38](=[O:39])(=[O:40])[c:50]3[cH:49][cH:48][c:47]([C:43]([CH3:44])([CH3:45])[CH3:46])[cH:52][cH:51]3)[CH2:4][CH:5]1[CH:6]2[CH2:7][N:8]([C:9](=[O:10])[c:11]1[s:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][c:18]([F:28])[c:19]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[cH:20][cH:21]1