HRID949917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

结构：Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)O)c3c(c21)CC(C)(C)O3

HCID67502720

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3c(c21)CC(C)(C)O3

HCID67503476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cfd39dab2c64ec5864642a2c636bfdf
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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