HRID837781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID5237175

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate

C10H19NO3

HCID14627370

未命名化合物

结构：COc1ccc(CSC2CC(C(=O)O)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

HCID18699814

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CSC2CC(C(=O)N3CCC(CN4CCCC4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

HCID178491662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80354e56db82433897137c798e689470
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:13]([O:14][C:15]([N:16]1[CH2:17][CH2:18][CH:19]([CH2:20][OH:21])[CH2:22]1)=[O:23])([CH3:24])([CH3:25])[CH3:26].[CH2:78]([N:79]=[C:80]=[N:81][CH2:82][CH2:83][CH2:84][N:85]([CH3:86])[CH3:87])[CH3:88].[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32]([CH2:33][S:34][CH:35]2[CH2:36][CH:37]([C:53](=[O:54])[OH:55])[N:38]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]3)[CH2:39]2)[cH:56][cH:57]1.[CH3:89][N:90]([CH3:91])[CH:92]=[O:93].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[ClH:1].[ClH:77].[N:2]1([CH2:7][CH:8]2[CH2:9][NH:10][CH2:11][CH2:12]2)[CH2:3][CH2:4][CH2:5][CH2:6]1.[OH:67][n:68]1[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[N:2]1([CH2:7][CH:8]2[CH2:9][N:10]([C:53]([CH:37]3[CH2:36][CH:35]([S:34][CH2:33][c:32]4[cH:31][cH:30][c:29]([O:28][CH3:27])[cH:57][cH:56]4)[CH2:39][N:38]3[C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]3)=[O:54])[CH2:11][CH2:12]2)[CH2:3][CH2:4][CH2:5][CH2:6]1