HRID1219166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID75646

Cyclopropanemethanamine

C4H9N

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID12476378

未命名化合物

结构：Cc1nn(C)c2nc(Cl)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12

HCID57486811

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c2nc(NCC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12

HCID57444438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d4bf41ba4304c4cbffd0d0b1f9ed218
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

[CH3:107][CH2:108][O:109][C:110](=[O:111])[CH3:112].[CH3:36][CH2:37][CH2:38][CH2:39][O-:40].[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH:47]1([CH2:50][NH2:51])[CH2:48][CH2:49]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[cH:16][c:17]3[c:18]([n:19][c:20]2[Cl:21])[n:22]([CH3:26])[n:23][c:24]3[CH3:25])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[K+:46].[O-:103][C:104]([CH3:105])=[O:106].[O-:99][C:100]([CH3:101])=[O:102].[Pd+2:98].[cH:52]1[cH:53][cH:54][c:55]([P:56]([c:57]2[cH:58][cH:59][c:60]3[c:61]([cH:62][cH:63][cH:64][cH:65]3)[c:66]2-[c:67]2[c:68]3[c:69]([cH:70][cH:71][cH:72][cH:73]3)[cH:74][cH:75][c:76]2[P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[cH:16][c:17]3[c:18]([n:19][c:20]2[NH:51][CH2:50][CH:47]2[CH2:48][CH2:49]2)[n:22]([CH3:26])[n:23][c:24]3[CH3:25])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]