HRID87669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

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

HCID634876

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

C44H32P2

结构：CC1(C)CN(S(=O)(=O)c2ccccc2F)c2cccc(Br)c2O1

HCID22557282

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c2OC(C)(C)CN3S(=O)(=O)c2ccccc2F)CC1

HCID58842135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d723771d9254fbd86446757059ff520
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][cH:5][c:6]2[c:11]1[O:10][C:9]([CH3:12])([CH3:13])[CH2:8][N:7]2[S:14](=[O:15])(=[O:16])[c:17]1[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]1.[C:24](=[O:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[cH:37]1[cH:38][cH:39][c:40]([P:41]([c:42]2[cH:43][cH:44][c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[c:51]2-[c:52]2[c:53]3[c:54]([cH:55][cH:56][cH:57][cH:58]3)[cH:59][cH:60][c:61]2[P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82]1>>[c:2]1([N:34]2[CH2:33][CH2:32][N:31]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:36][CH2:35]2)[cH:3][cH:4][cH:5][c:6]2[c:11]1[O:10][C:9]([CH3:12])([CH3:13])[CH2:8][N:7]2[S:14](=[O:15])(=[O:16])[c:17]1[c:18]([F:23])[cH:19][cH:20][cH:21][cH:22]1