HRID106785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID8934

Borate(1-), tetraphenyl-

C24H20B-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID16115439

4-[4-(Trifluoromethoxy)phenoxy]piperidine

C12H14F3NO2

HCID71059331

未命名化合物

PRODUCTS

生成物

结构：CC1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)COC(C)(C)O1

HCID67361124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6f8cae5d208449a8b53618f93b1cda5
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8]2([CH3:15])[O:9][C:10]([CH3:13])([CH3:14])[O:11][CH2:12]2)[cH:16][cH:17]1.[C:61]([P:62]([C:63]([CH3:64])([CH3:65])[CH3:66])[C:67]([CH3:68])([CH3:69])[CH3:70])([CH3:71])([CH3:72])[CH3:73].[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH3:74][C:75]([CH3:76])([O-:77])[CH3:78].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[CH3:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[F:18][C:19]([O:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:32][cH:33]1)([F:34])[F:35].[Na+:79].[OH2:89].[Pd+2:84].[c:36]1([B-:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[c:2]1([N:29]2[CH2:28][CH2:27][CH:26]([O:25][c:24]3[cH:23][cH:22][c:21]([O:20][C:19]([F:18])([F:34])[F:35])[cH:33][cH:32]3)[CH2:31][CH2:30]2)[cH:3][cH:4][c:5]([O:6][CH2:7][C:8]2([CH3:15])[O:9][C:10]([CH3:13])([CH3:14])[O:11][CH2:12]2)[cH:16][cH:17]1