HRID115209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6924

o-Toluenesulfonamide

C7H9NO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4C(=O)O)ccc3o2)n1

HCID19092758

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1S(=O)(=O)NC(=O)c1ccccc1COc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

HCID19092802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47073ae2764840db9052879dab72cc79
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[n:6][c:7](-[c:10]2[o:11][c:12]3[c:13]([cH:14]2)[cH:15][c:16]([O:19][CH2:20][c:21]2[c:22]([C:27](=[O:28])[OH:29])[cH:23][cH:24][cH:25][cH:26]2)[cH:17][cH:18]3)[s:8][cH:9]1.[CH3:30][c:31]1[c:32]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:33][cH:34][cH:35][cH:36]1.[CH3:42][N:43]([CH3:44])[CH2:45][CH2:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH3:52].[CH3:53][CH2:54][OH:55].[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[ClH:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7](-[c:10]2[o:11][c:12]3[c:13]([cH:14]2)[cH:15][c:16]([O:19][CH2:20][c:21]2[c:22]([C:27](=[O:28])[NH:40][S:37]([c:32]4[c:31]([CH3:30])[cH:36][cH:35][cH:34][cH:33]4)(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]2)[cH:17][cH:18]3)[s:8][cH:9]1