HRID204222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID178507581

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)c[n+]3[O-])c3c(c21)CC(C)(C)O3

HCID178481225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9c0958e3c6348259a0d6b093bfc315e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[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.[NH2:32][c:33]1[n+:34]([O-:43])[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]1.[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:32][c:33]4[n+:34]([O-:43])[cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][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