HRID165671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc3cn(Cc4ccccc4)nc3c2)OC1(C)C

HCID58529313

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Cc2cc(Br)c3c(N)ncnn23)C1

HCID58529571

未命名化合物

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(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)C1

HCID58529700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0364041071f84e2b843d55835e1332cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:13][c:14]2[cH:15][c:16]([Br:24])[c:17]3[c:18]([NH2:23])[n:19][cH:20][n:21][n:22]23)[CH2:11][CH2:12]1.[C:50](=[O:51])([O-:52])[O-:53].[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[n:32]1[n:33][c:34]2[cH:35][c:36]([B:41]3[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]3)[cH:37][cH:38][c:39]2[cH:40]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Na+:54].[Na+:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:13][c:14]2[cH:15][c:16](-[c:36]3[cH:35][c:34]4[n:33][n:32]([CH2:25][c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:40][c:39]4[cH:38][cH:37]3)[c:17]3[c:18]([NH2:23])[n:19][cH:20][n:21][n:22]23)[CH2:11][CH2:12]1