HRID684637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID67993

lpha,alpha,alpha-Trifluoro-4-iodotoluene

C7H4F3I

HCID4574913

未命名化合物

结构：CC(C)[Si](Sc1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1)(C(C)C)C(C)C

HCID68635783

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1

HCID68681139

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f9f4fb65734edc90e9eb99fc729606
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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