HRID1221058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736421

4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride

C7H3BrClF3O3S

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)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

HCID9895868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28d91d4ac93d44b284d777252b1b7076
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

[Br:41][c:42]1[cH:43][c:44]([O:52][C:53]([F:54])([F:55])[F:56])[c:45]([S:48](=[O:49])(=[O:50])[Cl:51])[cH:46][cH:47]1.[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].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:63][CH2:64][Cl:65].[ClH:31]>>[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:48]([c:45]1[c:44]([O:52][C:53]([F:54])([F:55])[F:56])[cH:43][c:42]([Br:41])[cH:47][cH:46]1)(=[O:49])=[O:50]