HRID93752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID67765

2,4,6-Trifluoroaniline

C6H4F3N

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cccc(Cl)c1Nc1nc2cc(C(=O)O)c3c(c2[nH]1)CC(C)(C)O3

HCID178425067

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3c(F)cc(F)cc3F)c3c(c2[nH]1)CC(C)(C)O3

HCID178425065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f0c8465c9024c20b627d4911f4e1c2d
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

[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[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]([CH3:8])[cH:5][cH:6][cH:7]1.[F:31][c:32]1[c:33]([NH2:34])[c:35]([F:40])[cH:36][c:37]([F:39])[cH:38]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:34][c:33]2[c:32]([F:31])[cH:38][c:37]([F:39])[cH:36][c:35]2[F:40])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1