HRID1230515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

3 次

HCID15413

Methyl tert-butyl ether

C5H12O

HCID28179

Fluoride

F-

HCID3724478

未命名化合物

HCID11708267

Bistrimethylsilylacetamid

C8H21NOSi2

结构：CC(C)(C)[Si](C)(C)OC(CCC(C(=O)N1C(=O)OCC1c1ccccc1)C(Nc1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1

HCID22252047

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1)c1ccc(F)cc1

HCID22252074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfb73d145e774cb5b378aa7740c0d5e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH:10]([C:11](=[O:12])[N:13]1[CH:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][O:22][C:23]1=[O:24])[CH:25]([c:26]1[cH:27][cH:28][c:29]([OH:32])[cH:30][cH:31]1)[NH:33][c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1)[c:41]1[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]1)([CH3:48])[CH3:49].[CH2:66]([NH+:67]([CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH2:74][CH3:75])[CH2:76][CH2:77][CH3:78].[CH3:50][Si:51]([CH:52]([Si:53]([CH3:54])([CH3:55])[CH3:56])[C:57]([NH2:58])=[O:59])([CH3:60])[CH3:61].[CH3:79][C:80](=[O:81])[OH:82].[CH3:83][O:84][C:85]([CH3:86])([CH3:87])[CH3:88].[F-:65].[OH2:62].[OH2:63].[OH2:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][CH2:9][CH:10]1[C:11](=[O:12])[N:33]([c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[CH:25]1[c:26]1[cH:27][cH:28][c:29]([OH:32])[cH:30][cH:31]1)[c:41]1[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]1)([CH3:48])[CH3:49]