HRID1233185

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(Br)cc1)c1ccc(F)cc1

HCID22252067

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(Br)cc1)c1ccc(F)cc1

HCID22252077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fabdc9cb6ba4d65ab50c8f5d0a2ddbe
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([C:10](=[O:11])[N:12]2[CH:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:20][O:21][C:22]2=[O:23])[CH2:24][CH2:25][CH:26]([c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[NH:42][c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:6][cH:7]1.[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]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([CH2:24][CH2:25][CH:26]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[C:10](=[O:11])[N:42]2[c:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:6][cH:7]1