HRID951824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID69861

4-tert-Butylaniline

C10H15N

结构：COC(=O)C1(NC(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(C)cc2)CC1

HCID58129388

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1

HCID66921139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dedc1cbf4db41afbe319005e9d84f0b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:45]([CH3:46])([CH3:47])([CH3:48])[c:49]1[cH:50][cH:51][c:52]([NH2:53])[cH:54][cH:55]1.[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:1][O:2][C:3](=[O:4])[C:5]1([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:6][CH2:7][N:8]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[CH2:9][CH2:10]1.[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:56][OH:57].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:67][C:68](=[O:69])[OH:70].[OH2:71]>>[C:3](=[O:4])([C:5]1([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:6][CH2:7][N:8]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[CH2:9][CH2:10]1)[NH:53][c:52]1[cH:51][cH:50][c:49]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:55][cH:54]1