HRID1123445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6924

o-Toluenesulfonamide

C7H9NO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：COc1cc(C(=O)O)ccc1Cn1cc(C=CC(=O)N2CCCC2)c2ccc(C=CC(=O)N3CCCC3)cc21

HCID54055128

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(C=CC(=O)N2CCCC2)c2ccc(C=CC(=O)N3CCCC3)cc21

HCID54482526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46ae61cdfb934b7099129211c538b0f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:77]([Cl:78])[Cl:79].[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH3:51].[CH3:52][c:53]1[c:54]([S:59](=[O:60])(=[O:61])[NH2:62])[cH:55][cH:56][cH:57][cH:58]1.[CH3:63][N:64]([CH3:65])[c:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH3:80][OH:81].[ClH:40].[O:1]=[C:2]([CH:3]=[CH:4][c:5]1[cH:6][n:7]([CH2:23][c:24]2[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]2)[c:8]2[cH:9][c:10]([CH:14]=[CH:15][C:16](=[O:17])[N:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:11][cH:12][c:13]12)[N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1>>[O:1]=[C:2]([CH:3]=[CH:4][c:5]1[cH:6][n:7]([CH2:23][c:24]2[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:30])[NH:62][S:59]([c:54]3[c:53]([CH3:52])[cH:58][cH:57][cH:56][cH:55]3)(=[O:60])=[O:61])[cH:31][cH:32]2)[c:8]2[cH:9][c:10]([CH:14]=[CH:15][C:16](=[O:17])[N:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:11][cH:12][c:13]12)[N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1