HRID2326198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID72879

Methanesulfonamide

CH5NO2S

结构：O=C(O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21

HCID10319016

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)NC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21

HCID10412910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7eaaaaff61c4a2993ecdce181df8540
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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