HRID702497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID7240

2-Chloroaniline

C6H6ClN

HCID19660

Carbonate

CO3-2

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

结构：CC(C)CC(C(=O)Nc1ccn(CC2COC(C)(C)O2)n1)n1ncc(I)cc1=O

HCID178445157

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)Nc1ccn(CC2COC(C)(C)O2)n1)n1ncc(Nc2ccccc2Cl)cc1=O

HCID178445159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8addf9b35ed451aacb9122c1390eb00
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:30](=[O:31])([O-:32])[O-:33].[CH3:1][C:2]1([CH3:29])[O:3][CH2:4][CH:5]([CH2:7][n:8]2[n:9][c:10]([NH:13][C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[n:20]3[n:21][cH:22][c:23]([I:27])[cH:24][c:25]3=[O:26])=[O:28])[cH:11][cH:12]2)[O:6]1.[CH3:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Cl:82][c:83]1[c:84]([NH2:85])[cH:86][cH:87][cH:88][cH:89]1.[K+:34].[K+:35].[O-:91][C:92]([CH3:93])=[O:94].[O-:95][C:96]([CH3:97])=[O:98].[Pd+2:90].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[c:53]2-[c:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[cH:61][cH:62][c:63]2[P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH3:1][C:2]1([CH3:29])[O:3][CH2:4][CH:5]([CH2:7][n:8]2[n:9][c:10]([NH:13][C:14]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[n:20]3[n:21][cH:22][c:23]([NH:85][c:84]4[c:83]([Cl:82])[cH:89][cH:88][cH:87][cH:86]4)[cH:24][c:25]3=[O:26])=[O:28])[cH:11][cH:12]2)[O:6]1