HRID1238548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID8053

3-Methylbutyl nitrite

C5H11NO2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(-c2nc(Sc3ccc(C(F)(F)F)cc3N)[nH]c2-c2ccc(OC)cc2)cc1

HCID12832304

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(Sc3ccc(C(F)(F)F)cc3)[nH]c2-c2ccc(OC)cc2)cc1

HCID12832305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7688d375d3584d97933e92c5180a9da2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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