HRID111027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCOC(CCO)(c2ccc(Cl)c(Cl)c2)C1

HCID18677205

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCO2)cc1

HCID72968867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f97093fea9040d78e33ecf307385e8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:63]([Cl:64])[Cl:65].[CH3:35][N:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][n:42]1)[CH3:43].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][c:52]1[cH:53][cH:54][c:55]([S:58](=[O:59])(=[O:60])[Cl:61])[cH:56][cH:57]1.[ClH:62].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][C:14](=[O:15])[N:16]2[CH2:17][C:18]([c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)([CH2:30][CH2:31][OH:32])[O:19][CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:33])[F:34].[OH2:66]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][C:14](=[O:15])[N:16]2[CH2:17][C:18]([c:22]3[cH:23][c:24]([Cl:29])[c:25]([Cl:28])[cH:26][cH:27]3)([CH2:30][CH2:31][O:32][S:58]([c:55]3[cH:54][cH:53][c:52]([CH3:51])[cH:57][cH:56]3)(=[O:59])=[O:60])[O:19][CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:33])[F:34]