HRID122991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

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

HCID21865183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-816fcaba50884b8f9329c193f7e1864a
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

[CH3:28][S:29]([Cl:30])(=[O:31])=[O:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[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].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[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][S:29]([CH3:28])(=[O:31])=[O:32])[s:24]4)[n:12][cH:13][n:14]2)[cH:7][cH:8]1)([F:26])[F:27]