HRID689561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID72879

Methanesulfonamide

CH5NO2S

结构：O=C(O)COc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1NC(=O)c1cccc(OCc2nc3ccccc3s2)c1

HCID54210198

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NC(=O)COc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1NC(=O)c1cccc(OCc2nc3ccccc3s2)c1

HCID19611495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d978fe2c569f454fb2d73e2e7eafbe51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:51]([N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60])[CH3:61].[CH3:45][S:46](=[O:47])(=[O:48])[NH2:49].[CH3:62][N:63]([CH3:64])[c:65]1[cH:66][cH:67][n:68][cH:69][cH:70]1.[Cl:71][CH2:72][Cl:73].[ClH:50].[s:1]1[c:2]([CH2:10][O:11][c:12]2[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]3[c:19]([O:20][CH2:21][C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27]([CH2:29][CH2:30][CH2:31][S:32](=[O:33])(=[O:34])[c:35]4[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]4)[cH:28]3)[cH:42][cH:43][cH:44]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([CH2:10][O:11][c:12]2[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]3[c:19]([O:20][CH2:21][C:22](=[O:23])[NH:49][S:46]([CH3:45])(=[O:47])=[O:48])[cH:25][cH:26][c:27]([CH2:29][CH2:30][CH2:31][S:32](=[O:33])(=[O:34])[c:35]4[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]4)[cH:28]3)[cH:42][cH:43][cH:44]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2