HRID1212677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID4574913

未命名化合物

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)cc1-c1ccc(F)cc1Cl

HCID59215808

未命名化合物

HCID72533149

1,3,4,6,7,8,9,9a-Octahydropyrazino[2,1-c][1,4]oxazin-7-ylmethoxy-tert-butyl-dimethylsilane

C14H30N2O2Si

PRODUCTS

生成物

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC3COCCN3CC2CO[Si](C)(C)C(C)(C)C)cc1-c1ccc(F)cc1Cl

HCID178485672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6852442e0fe1480687e00a749f38dfbe
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

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