HRID141076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID62324

Propanoyl chloride

C3H5ClO

HCID3513851

BEMP phosphazene

C13H31N4P

结构：Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1

HCID10091650

4-[[6-[4-(Trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-2-benzothiazolamine

C18H11F3N4OS

PRODUCTS

生成物

结构：CCC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cccc2s1

HCID16748081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ce6d28908d948d79265e6563d8b76c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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