HRID312192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

结构：O=C1N(Cc2c(Cl)cc(Br)cc2Cl)CCC12CCCCC2

HCID24863746

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：COC(=O)c1ccc(-c2cc(Cl)c(CN3CCC4(CCCCC4)C3=O)c(Cl)c2)cc1

HCID24863748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9d39e442fda4f0e942349d2dc03ccea
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[cH:3][c:4]([Cl:21])[c:5]([CH2:6][N:7]2[C:8](=[O:17])[C:9]3([CH2:10][CH2:11]2)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:18]([Cl:20])[cH:19]1.[CH3:22][O:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([C:24]([O:23][CH3:22])=[O:25])[cH:31][cH:30]2)[cH:3][c:4]([Cl:21])[c:5]([CH2:6][N:7]2[C:8](=[O:17])[C:9]3([CH2:10][CH2:11]2)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:18]([Cl:20])[cH:19]1