HRID93751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID3801959

未命名化合物

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

HCID178466261

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

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

HCID73005906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2361844efcfa4e6c8d04ba8613837bcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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