HRID694536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID45090984

6-(Difluoromethoxy)pyridin-3-amine

C6H6F2N2O

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

HCID178422815

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2c(c(C(=O)Nc3ccc(OC(F)F)nc3)cc3nc(Nc4c(F)cccc4Cl)[nH]c23)O1

HCID178422800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-600f8b9a50b649999d6d692e38e817ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[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.[F:31][CH:32]([O:33][c:34]1[cH:35][cH:36][c:37]([NH2:40])[cH:38][n:39]1)[F:41].[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:40][c:37]2[cH:36][cH:35][c:34]([O:33][CH:32]([F:31])[F:41])[n:39][cH:38]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