HRID808393

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：CC1(C)Cc2c(c(C(=O)O)cc3nc(Nc4c(F)cccc4Cl)[nH]c23)O1

HCID178422815

未命名化合物

HCID178507581

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)c[n+]3[O-])cc3nc(Nc4c(F)cccc4Cl)[nH]c23)O1

HCID178422771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc1b36d4a325411c8f2b2e53c0c0be5d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test 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[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[OH:26])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[NH2:31][c:32]1[n+:33]([O-:42])[cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]1.[S:27]([Cl:28])([Cl:29])=[O:30]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[NH:31][c:32]2[n+:33]([O-:42])[cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1