HRID1204561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

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(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C(O)CC2OCCO2)C1

HCID67051842

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)OC(CC2OCCO2)C2(O)CN(C(=O)c3ccc(F)c(F)c3Nc3ccc(I)cc3F)C2)c(C(C)C)c1

HCID86621272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bad29707c11249a7a6844a3117ebc122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:68][N:69]([CH3:70])[c:71]1[cH:72][cH:73][n:74][cH:75][cH:76]1.[CH:40]([CH3:41])([CH3:42])[c:43]1[c:44]([S:55](=[O:56])(=[O:57])[Cl:58])[c:45]([CH:52]([CH3:53])[CH3:54])[cH:46][c:47]([CH:49]([CH3:50])[CH3:51])[cH:48]1.[Cl:65][CH2:66][Cl:67].[F:1][c:2]1[c:3]([NH:24][c:25]2[c:26]([F:32])[cH:27][c:28]([I:31])[cH:29][cH:30]2)[c:4]([C:9](=[O:10])[N:11]2[CH2:12][C:13]([OH:15])([CH:16]([CH2:17][CH:18]3[O:19][CH2:20][CH2:21][O:22]3)[OH:23])[CH2:14]2)[cH:5][cH:6][c:7]1[F:8]>>[F:1][c:2]1[c:3]([NH:24][c:25]2[c:26]([F:32])[cH:27][c:28]([I:31])[cH:29][cH:30]2)[c:4]([C:9](=[O:10])[N:11]2[CH2:12][C:13]([OH:15])([CH:16]([CH2:17][CH:18]3[O:19][CH2:20][CH2:21][O:22]3)[O:23][S:55]([c:44]3[c:43]([CH:40]([CH3:41])[CH3:42])[cH:48][c:47]([CH:49]([CH3:50])[CH3:51])[cH:46][c:45]3[CH:52]([CH3:53])[CH3:54])(=[O:56])=[O:57])[CH2:14]2)[cH:5][cH:6][c:7]1[F:8]