HRID1554664

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

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

HCID74376166

未命名化合物

HCID86636541

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(Nc2ncc(OCCCCC(=O)OC(C)(C)C)cn2)c2cc(C(F)(F)F)ccc2N1

HCID178436754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02bd18b911044aaab89f3104e72bf7ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:101]([O-:102])(=[O:103])[CH3:104].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][n:14][c:15]([Cl:18])[n:16][cH:17]1)=[O:19].[C:96]([O-:97])(=[O:98])[CH3:99].[CH2:66]([CH3:67])[CH:68]1[NH:69][c:70]2[cH:71][cH:72][c:73]([C:79]([F:80])([F:81])[F:82])[cH:74][c:75]2[CH:76]([NH2:78])[CH2:77]1.[CH3:105][CH2:106][O:107][C:108](=[O:109])[CH3:110].[CH3:83][C:84]([CH3:85])([O-:86])[CH3:87].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[Na+:88].[OH2:111].[Pd+2:100].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[c:37]2-[c:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[cH:45][cH:46][c:47]2[P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][n:14][c:15]([NH:78][CH:76]2[c:75]3[c:70]([cH:71][cH:72][c:73]([C:79]([F:80])([F:81])[F:82])[cH:74]3)[NH:69][CH:68]([CH2:66][CH3:67])[CH2:77]2)[n:16][cH:17]1)=[O:19]