HRID106695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

3 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID2757280

3-(t-Butyldimethylsiloxy)iodobenzene

C12H19IOSi

结构：COc1ccc(CSC(CCc2cccc(O[Si](C)(C)C(C)(C)C)c2)C(Cc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)OC(C)(C)C)cc1

HCID69072378

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CSC(CCc2cccc(O)c2)C(Cc2ccc(NC(=O)OC(C)(C)C)nc2)C(=O)OC(C)(C)C)cc1

HCID69072041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bfce587047d4182abc1a6d130636210
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:55]([Si:56]([O:57][c:58]1[cH:59][cH:60][cH:61][c:62]([I:63])[cH:64]1)([CH3:65])[CH3:66])([CH3:67])([CH3:68])[CH3:69].[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH:28]([CH2:29][CH2:30][c:31]2[cH:32][c:33]([O:37][Si:38]([C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])[CH3:44])[cH:34][cH:35][cH:36]2)[S:45][CH2:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)[cH:17][n:18]1.[CH2:74]([N+:75]([CH2:76][CH2:77][CH2:78][CH3:79])([CH2:80][CH2:81][CH2:82][CH3:83])[CH2:84][CH2:85][CH2:86][CH3:87])[CH2:88][CH2:89][CH3:90].[CH2:91]1[O:92][CH2:93][CH2:94][CH2:95]1.[CH3:1][C:2](=[O:3])[OH:4].[CH3:96][CH2:97][O:98][C:99]([CH3:100])=[O:101].[F-:73].[OH2:70].[OH2:71].[OH2:72]>>[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH:28]([CH2:29][CH2:30][c:31]2[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]2)[S:45][CH2:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)[cH:17][n:18]1