HRID1137925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID973810

未命名化合物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID59792820

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1

HCID11331631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db36beae5fa8458ba03f5e6c047f2111
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:61]([Cl:62])[Cl:63].[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[Cl:26][c:27]1[cH:28][cH:29][c:30]([CH:33]2[N:34]=[C:35]([c:48]3[c:49]([O:58][CH2:59][CH3:60])[cH:50][c:51]([C:54]([F:55])([F:56])[F:57])[cH:52][cH:53]3)[N:36]([C:45](=[O:46])[Cl:47])[CH:37]2[c:38]2[cH:39][cH:40][c:41]([Cl:44])[cH:42][cH:43]2)[cH:31][cH:32]1.[ClH:1].[N:2]1([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1>>[N:2]1([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][O:14][CH2:15][CH2:16]2)[CH2:3][CH2:4][N:5]([C:45]([N:36]2[C:35]([c:48]3[c:49]([O:58][CH2:59][CH3:60])[cH:50][c:51]([C:54]([F:55])([F:56])[F:57])[cH:52][cH:53]3)=[N:34][CH:33]([c:30]3[cH:29][cH:28][c:27]([Cl:26])[cH:32][cH:31]3)[CH:37]2[c:38]2[cH:39][cH:40][c:41]([Cl:44])[cH:42][cH:43]2)=[O:46])[CH2:6][CH2:7]1