HRID88366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CN1CCN(c2ccc(Nc3cc(B4OC(C)(C)C(C)(C)O4)cn(C)c3=O)nc2)CC1

HCID58043764

未命名化合物

结构：CC(=O)OCc1c(Br)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O

HCID68096885

2-[2-[(Acetyloxy)methyl]-3-bromophenyl]-3,4,7,8-tetrahydro-7,7-dimethyl-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one

C21H23BrN2O3

结构：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

生成物

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(N4CCN(C)CC4)cn3)c(=O)n(C)c2)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O

HCID86661245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddd11c305868416497bbe38ab7c4bb74
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

[C:32]([CH3:33])(=[O:34])[O:35][CH2:36][c:37]1[c:38]([Br:58])[cH:39][cH:40][cH:41][c:42]1[N:43]1[C:44](=[O:57])[c:45]2[cH:46][c:47]3[c:51]([n:52]2[CH2:53][CH2:54]1)[CH2:50][C:49]([CH3:55])([CH3:56])[CH2:48]3.[C:59](=[O:60])([O-:61])[O-:62].[CH3:1][n:2]1[c:3](=[O:31])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:22][cH:23]2)[cH:5][c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[Na+:63].[Na+:64].[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[P:115]([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)([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[CH3:1][n:2]1[c:3](=[O:31])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:22][cH:23]2)[cH:5][c:6](-[c:38]2[c:37]([CH2:36][O:35][C:32]([CH3:33])=[O:34])[c:42]([N:43]3[C:44](=[O:57])[c:45]4[cH:46][c:47]5[c:51]([n:52]4[CH2:53][CH2:54]3)[CH2:50][C:49]([CH3:55])([CH3:56])[CH2:48]5)[cH:41][cH:40][cH:39]2)[cH:7]1