HRID1201520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

4 次

HCID87762

3-(Ethylthio)propanol

C5H12OS

HCID49853478

1-[3-(Methanesulfonyl)propyl]piperazine

C8H18N2O2S

HCID65093956

未命名化合物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID76588499

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(=O)(=O)CC)CC1

HCID178466436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-078bdc0db21a40ebb8e934b1664eaea5
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:35][CH2:36][CH3:37])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[Cl:34])[cH:9][n:10]1.[CH2:40]([CH3:41])[S:42](=[O:43])(=[O:44])[CH2:45][CH2:46][CH2:47][N:48]1[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]1.[CH2:54]([S:55][CH2:56][CH2:57][CH2:58][OH:59])[CH3:60].[CH3:63][S:64]([CH2:65][CH2:66][CH2:67][N:68]1[CH2:69][CH2:70][NH:71][CH2:72][CH2:73]1)(=[O:74])=[O:75].[ClH:38].[ClH:39].[ClH:61].[ClH:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:35][CH2:36][CH3:37])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[N:51]2[CH2:50][CH2:49][N:48]([CH2:47][CH2:46][CH2:45][S:42]([CH2:40][CH3:41])(=[O:43])=[O:44])[CH2:53][CH2:52]2)[cH:9][n:10]1