HRID2324893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID2155

2-Aminothiazole

C3H4N2S

HCID6342

Acetonitrile

C2H3N

HCID3571581

2-tert-Butyl-1,1,3,3-tetramethylguanidine

C9H21N3

结构：O=C1C(N2CCC(c3cc(Cl)cc(Cl)c3)C2)CCN1c1cc(F)c(S(=O)(=O)Cl)c(F)c1

HCID143921933

未命名化合物

PRODUCTS

生成物

结构：O=C1C(N2CCC(c3cc(Cl)cc(Cl)c3)C2)CCN1c1cc(F)c(S(=O)(=O)Nc2nccs2)c(F)c1

HCID75078934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cebc9a7ab12497a9f6e30122a89e4ae
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

[C:7]([N:8]=[C:9]([N:10]([CH3:11])[CH3:12])[N:13]([CH3:14])[CH3:15])([CH3:16])([CH3:17])[CH3:18].[CH3:50][C:51]#[N:52].[CH3:53][S:54]([CH3:55])=[O:56].[Cl:19][c:20]1[cH:21][c:22]([CH:27]2[CH2:28][N:29]([CH:32]3[C:33](=[O:49])[N:34]([c:37]4[cH:38][c:39]([F:48])[c:40]([S:44](=[O:45])(=[O:46])[Cl:47])[c:41]([F:43])[cH:42]4)[CH2:35][CH2:36]3)[CH2:30][CH2:31]2)[cH:23][c:24]([Cl:26])[cH:25]1.[NH2:1][c:2]1[s:3][cH:4][cH:5][n:6]1>>[NH:1]([c:2]1[s:3][cH:4][cH:5][n:6]1)[S:44]([c:40]1[c:39]([F:48])[cH:38][c:37]([N:34]2[C:33](=[O:49])[CH:32]([N:29]3[CH2:28][CH:27]([c:22]4[cH:21][c:20]([Cl:19])[cH:25][c:24]([Cl:26])[cH:23]4)[CH2:31][CH2:30]3)[CH2:36][CH2:35]2)[cH:42][c:41]1[F:43])(=[O:45])=[O:46]