HRID303983

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

HCID59133197

6-Bromo-7-fluoro-1H-indole

C8H5BrFN

结构：CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(B4OC(C)(C)C(C)(C)O4)c23)CC1

HCID66605912

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：CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc5cc[nH]c5c4F)c23)CC1

HCID46834098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-369c47505a7d428db7594ba73bed5954
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

[Br:35][c:36]1[cH:37][cH:38][c:39]2[cH:40][cH:41][nH:42][c:43]2[c:44]1[F:45].[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[c:14]4[c:15]([B:26]5[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]5)[cH:16][cH:17][c:18]([C:23](=[O:24])[NH2:25])[c:19]4[nH:20][c:21]3[cH:22]2)[CH2:6][CH2:7]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][OH:61].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([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)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[c:14]4[c:15](-[c:36]5[cH:37][cH:38][c:39]6[cH:40][cH:41][nH:42][c:43]6[c:44]5[F:45])[cH:16][cH:17][c:18]([C:23](=[O:24])[NH2:25])[c:19]4[nH:20][c:21]3[cH:22]2)[CH2:6][CH2:7]1