HRID195038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID961

Hydroxide

HO-

HCID8071

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

结构：COc1ccc2c(c1)CC(CCCCCCCCCC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N1C(=O)N(C)C(C)C1c1ccccc1)C1C2CCC2(C)C(O)CCC12

HCID178487156

未命名化合物

PRODUCTS

生成物

HCID230547

未命名化合物

结构：COc1ccc2c(c1)CC(CCCCCCCCCC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O)C1C2CCC2(C)C(O)CCC12

HCID178487157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e62e3f35c174f0aa048204132dc97c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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