HRID2124584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID9868

1,1,1-Trifluoroethane

C2H3F3

HCID24648

Sulfuryl chloride

Cl2O2S

结构：COc1ncc(F)cc1-c1cc(C=Cc2ccc(N)cn2)c(OC)c(C(C)(C)C)c1

HCID67286558

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(F)cc1-c1cc(C=Cc2ccc(NS(=O)(=O)CC(F)(F)F)cn2)c(OC)c(C(C)(C)C)c1

HCID77260007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4163f8acda2d46a1821bd068b5df2c13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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