HRID688213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

反应SMILES：CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID2769618

1-Methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

C16H26BN3O2

反应SMILES：Fc1ccc(F)c(CC2CCNc3ncc(Br)cc32)c1

HCID57885800

未命名化合物

反应SMILES：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(c2ccc(-c3cnc4c(c3)C(Cc3cc(F)ccc3F)CCN4)cn2)CC1

HCID46906715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a0af75cff9e14bcb82d60300c1492e49
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

[Br:7][c:8]1[cH:9][c:10]2[c:15]([n:16][cH:17]1)[NH:14][CH2:13][CH2:12][CH:11]2[CH2:18][c:19]1[c:20]([F:26])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[C:1](=[O:2])([O-:3])[O-:4].[CH2:49]([OH:50])[CH3:51].[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([c:34]2[n:35][cH:36][c:37]([B:40]3[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]3)[cH:38][cH:39]2)[CH2:32][CH2:33]1.[Na+:5].[Na+:6].[c:52]1([CH3:53])[cH:54][cH:55][cH:56][cH:57][cH:58]1.[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[c:8]1(-[c:37]2[cH:36][n:35][c:34]([N:31]3[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]3)[cH:39][cH:38]2)[cH:9][c:10]2[c:15]([n:16][cH:17]1)[NH:14][CH2:13][CH2:12][CH:11]2[CH2:18][c:19]1[c:20]([F:26])[cH:21][cH:22][c:23]([F:25])[cH:24]1