HRID1143004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1

HCID81042

2,4,6-Triisopropylbenzenesulfonyl chloride

C15H23ClO2S

结构：O=C(c1cscc1Nc1ccc(I)cc1F)N1CC(O)(CO)C1

HCID67051574

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)OCC2(O)CN(C(=O)c3cscc3Nc3ccc(I)cc3F)C2)c(C(C)C)c1

HCID86621271

Benzenesulfonic acid, 2,4,6-tris(1-methylethyl)-, [1-[[4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl]carbonyl]-3-hydroxy-3-azetidinyl]methyl ester

C30H36FIN2O5S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f92a879d251644c68c1a71f28f5ff5fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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