HRID288684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

结构：O=C(C1CCC(Nc2nccc(-n3ccc4c(Br)cccc43)n2)CC1)N1CCC(O)CC1

HCID67426733

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：O=C(C1CCC(Nc2nccc(-n3ccc4c(-c5ccccc5)cccc43)n2)CC1)N1CCC(O)CC1

HCID46834349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bac25f1e8601404c888f3bdee69bfb28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH:33]([OH:34])[OH:35].[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6](-[c:11]3[n:12][c:13]([NH:17][CH:18]4[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][CH:29]([OH:32])[CH2:30][CH2:31]5)[CH2:22][CH2:23]4)[n:14][cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:133][CH2:134][OH:135].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:46].[Na+:47].[OH2:55].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([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)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:3]2[cH:4][cH:5][n:6](-[c:11]3[n:12][c:13]([NH:17][CH:18]4[CH2:19][CH2:20][CH:21]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][CH:29]([OH:32])[CH2:30][CH2:31]5)[CH2:22][CH2:23]4)[n:14][cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1