HRID153691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2777215

2-(Trifluoromethoxy)benzenesulfonyl chloride

C7H4ClF3O3S

结构：CN(C)c1nc(NCC2CCC(CNC(=O)OC(C)(C)C)CC2)nc2ccccc12

HCID68846239

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12

HCID57714920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4225e26cb07e4be48e46e079af9a2ae1
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:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][c:17]2[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]([N:27]([CH3:28])[CH3:29])[n:26]2)[CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:30].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:59][CH2:60][Cl:61].[ClH:31].[F:38][C:39]([O:40][c:41]1[c:42]([S:47](=[O:48])(=[O:49])[Cl:50])[cH:43][cH:44][cH:45][cH:46]1)([F:51])[F:52].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[NH:7]([CH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][c:17]2[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]([N:27]([CH3:28])[CH3:29])[n:26]2)[CH2:13][CH2:14]1)[S:47]([c:42]1[c:41]([O:40][C:39]([F:38])([F:51])[F:52])[cH:46][cH:45][cH:44][cH:43]1)(=[O:48])=[O:49]