HRID122300

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

HCID2734387

2-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID57849456

1-[(4-Bromophenyl)methyl]-3-(1-methylethyl)piperazine

C14H21BrN2

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)C1CN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CCN1

HCID57849649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29f71a13ff1b4948bd7293647924300e
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

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