HRID2313586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6924

o-Toluenesulfonamide

C7H9NO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CCC(CC)CNC(=O)c1ccc2cccc(Cc3ccc(C(=O)O)cc3OC)c2c1

HCID19906369

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)CNC(=O)c1ccc2cccc(Cc3ccc(C(=O)NS(=O)(=O)c4ccccc4C)cc3OC)c2c1

HCID19906392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3564aed741c24e459e4d7a60bc2e56b3
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

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