HRID321079

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

HCID4192664

2-Methylpyridine-4-boronic acid

C6H8BNO2

结构：O=C(Cc1ccc(Br)c(C(F)(F)F)c1)Nc1ccc(-c2ccccc2)cn1

HCID68247166

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：Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)cn3)cc2C(F)(F)F)ccn1

HCID58447817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6378f36a5a4e40c78e19a3a7a45bd44a
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:1][c:2]1[c:3]([C:24]([F:25])([F:26])[F:27])[cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[n:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[cH:6][cH:7]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:128][CH2:129][OH:130].[CH3:28][c:29]1[n:30][cH:31][cH:32][c:33]([B:35]([OH:36])[OH:37])[cH:34]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Na+:49].[Na+:50].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:33]2[cH:32][cH:31][n:30][c:29]([CH3:28])[cH:34]2)[c:3]([C:24]([F:25])([F:26])[F:27])[cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][c:12]2[n:13][cH:14][c:15](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[cH:6][cH:7]1